Central Nervous System Public Database
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Central Nervous System long description
| BAC ID | Molecule | Name | Formula | Additional data | id |
|---|---|---|---|---|---|
| BAC0010184 |  |
(R)-Venlafaxine || R-Venlafaxine || 93413-46-8 || CHEMBL251694 || 1-[(1R)-2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol | C17H27NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e05fe72bc60.80351162 |
| BAC0010187 |  |
maprotiline || 10262-69-8 || Maprotylina || Maprotylina [Polish] || Maprotilinum | C20H23N |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0607aaf815.18817848 |
| BAC0010192 |  |
146798-66-5 || OSU-6162 || OSU6162 || PNU 96391A || CHEMBL311730 | C15H23NO2S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e060c413234.96517032 |
| BAC0010193 |  |
PRIDOPIDINE || 346688-38-8 || 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine || 4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine || ACR-16 | C15H23NO2S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06115c2439.13108337 |
| BAC0010194 |  |
Bifeprunox || Bifeprunoxum || 350992-10-8 || UNII-AP69E83Z79 || CHEMBL218166 | C24H23N3O2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e061656ee41.40286959 |
| BAC0010199 |  |
(S)-bupropion || UNII-69BL03TL5X || 69BL03TL5X || CHEBI:36793 || (2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | C13H18ClNO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e061b579423.75509121 |
| BAC0010203 |  |
Escitalopram || (S)-Citalopram || 128196-01-0 || S(+)-Citalopram || (+)-Citalopram | C20H21FN2O |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0620963a06.68365021 |
| BAC0010204 |  |
cocaine || Kokain || Neurocaine || Cocain || Cocaina | C17H21NO4 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0623ed1215.84543587 |
| BAC0010205 |  |
galanthamine || Galantamine || 357-70-0 || (-)-Galanthamine || Lycoremin | C17H21NO3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e062861d437.14815379 |
| BAC0010206 |  |
imipramine || Melipramine || Imidobenzyle || 50-49-7 || Antideprin | C19H24N2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e062d1bd854.98621903 |
| BAC0010207 |  |
Seridopidine || UNII-1359K87ZYE || 883631-51-4 || 1359K87ZYE || 1-Ethyl-4-(3-fluoro-5-(methylsulfonyl)phenyl)piperidine | C14H20FNO2S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e063256d9f2.07171519 |
| BAC0010209 |  |
desipramine || Norimipramine || Desmethylimipramine || Desipramin || Demethylimipramine | C18H22N2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06378e8199.79794113 |
| BAC0010217 |  |
clomipramine || Chlorimipramine || 303-49-1 || Monochlorimipramine || 3-Chloroimipramine | C19H23ClN2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e063c9e6d59.48514141 |
| BAC0010218 |  |
pergolide || Permax || Pergolida || 66104-22-1 || Pergolidum | C19H26N2S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0641abef51.60985466 |
| BAC0010219 |  |
Esreboxetine || Reboxetine || (S,S)-reboxetine || Vestra || 98819-76-2 | C19H23NO3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0646a54295.71109282 |
| BAC0010220 |  |
sertraline || 79617-96-2 || (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine || Sertralina || Sertralinum | C17H17Cl2N |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e064bda89a9.91892712 |
| BAC0010221 |  |
3-(4-BROMOPHENYL)-N,N-DIMETHYL-3-(3-PYRIDINYL)-2-PROPEN-1-AMINE || NSC305352 || Prestwick0_000092 || Prestwick1_000092 || NCIStruc1_001846 | C16H17BrN2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0650441002.98001716 |
| BAC0010222 |  |
Ephedrine || (-)-Ephedrine || l-Ephedrine || 299-42-3 || Ephedrin | C10H15NO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0654e25337.80868110 |
| BAC0010223 |  |
chlorpromazine || Thorazine || Largactil || Contomin || Chloropromazine | C17H19ClN2S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e065a0c3f37.33992685 |
| BAC0010224 |  |
(R)-Fluoxetine || (R)-(+)-fluoxetine || (+)-fluoxetine || UNII-F279341RUQ || (R)-Prozac | C17H18F3NO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e065ee48693.73923897 |
| BAC0010229 |  |
SCHEMBL40777 || ZINC26892683 || UNII-QGL9YXY171 component YSXKPIUOCJLQIE-KOUHRCEDSA-N | C21H29NO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06640a1e21.08901184 |
| BAC0010230 |  |
Aripiprazole || 129722-12-9 || Abilify || Abilitat || Abilify Discmelt | C23H27Cl2N3O2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e066919e496.40435925 |
| BAC0010231 |  |
AMPHETAMINE || Amfetamine || 1-phenylpropan-2-amine || dl-Amphetamine || Desoxynorephedrine | C9H13N |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e066e99e791.58198540 |
| BAC0010232 |  |
amitriptyline || Amitriptylin || Elavil || Damitriptyline || Triptanol | C20H23N |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0673512ba9.97954412 |
| BAC0010233 |  |
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide || Guanfacine-13C-15N3 || GTPL522 || DTXSID9046944 || HY-17416A | C9H9Cl2N3O |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0678a13d48.46595585 |
| BAC0010234 |  |
81262-70-6 || MDMA,S(+) || SCHEMBL896602 || CHEMBL382757 || BDBM86234 | C11H15NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e067d832a19.67822379 |
| BAC0010238 |  |
pramipexole || 104632-26-0 || (-)-Pramipexole || Pramipexol || Sifrol | C10H17N3S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0682c75fb5.38625468 |
| BAC0010241 |  |
Iloperidone || 133454-47-4 || Zomaril || Fanapt || Fanapta | C24H27FN2O4 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0687c3b823.24264772 |
| BAC0010242 |  |
(Z) Fluvoxamine || 917096-37-8 || 2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine || Luvox (Salt/Mix) || Dumirox (Salt/Mix) | C15H21F3N2O2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e068ccb1098.17475840 |
| BAC0010243 |  |
risperidone || 106266-06-2 || Risperidal || Risperdal || Rispolept | C23H27FN4O2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06917d8204.00360435 |
| BAC0010244 |  |
Atomoxetine || Tomoxetine || 83015-26-3 || Tomoxetina || Tomoxetinum | C17H21NO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0696d778e6.88378903 |
| BAC0010245 |  |
(R)-donepezil || 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE || CHEBI:53292 || (2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one || 1eve | C24H29NO3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e069bc6de81.25898498 |
| BAC0010246 |  |
haloperidol || 52-86-8 || Haldol || Aloperidin || Serenace | C21H23ClFNO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06a0774262.56151257 |
| BAC0010248 |  |
ZINC1846165 || UNII-0T493YFU8O component JICJBGPOMZQUBB-OAQYLSRUSA-N || (11R)-11-(6-Carboxyhexylamino)-3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide | C21H25ClN2O4S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06a58931f4.78977437 |
| BAC0010249 |  |
A-77636 || UNII-8PDA66H6ZI || 8PDA66H6ZI || CHEMBL291143 || CHEBI:64080 | C20H27NO3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06aa9af686.04342042 |
| BAC0010250 |  |
3-(2-Naphthyl)-L-alanine || 58438-03-2 || H-2-Nal-OH || (S)-2-Amino-3-(naphthalen-2-yl)propanoic acid || l-2-naphthylalanine | C13H13NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06aece1502.44035977 |
| BAC0010253 |  |
UNII-UGT5535REQ || 87075-17-0 || SCH-23390 || CHEMBL62 || SCH 23390 | C17H18ClNO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06b3aaab45.25691445 |
| BAC0010261 |  |
methyl (R)-phenyl[(S)-piperidin-2-yl]acetate || CHEBI:51862 || methyl (2R)-phenyl[(2S)-piperidin-2-yl]acetate || 2-Piperidineacetic acid, alpha-phenyl-, methyl ester, erythro- || erythro-Methylphenydate | C14H19NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06b7aaddd3.60314871 |
| BAC0010262 |  |
AMITIFADINE || EB-1010 || 410074-73-6 || UNII-GE0J375F8F || DOV-21947 | C11H11Cl2N |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06bbddf2c0.43177595 |
| BAC0010265 |  |
galanthamine || Galantamine || 357-70-0 || (-)-Galanthamine || Lycoremin | C17H21NO3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06c04cc426.51167725 |
| BAC0010267 |  |
Remoxipride || 80125-14-0 || Remoxipridum || Remoxiprida || Romoxipride | C16H23BrN2O3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06c4db31c6.91279161 |
| BAC0010270 |  |
Levosulpiride || 23672-07-3 || (-)-Sulpiride || (S)-(-)-sulpiride || Levopraid | C15H23N3O4S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06ca5a07e9.42287790 |
| BAC0010273 |  |
(3R,5S)-3,5-dimethyl-1-adamantanamine || Tocris-0773 || Lopac-M-9292 || SCHEMBL2689 || SCHEMBL8126868 | C12H21N |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06cf6fc125.29274048 |
| BAC0010274 |  |
apomorphine || Apomorphin || L-Apomorphine || Apomorfin || Apokyn | C17H17NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06d46aa5e2.72347477 |
| BAC0010275 |  |
Eglumegad || Eglumetad || 176199-48-7 || (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid || LY354740 | C8H11NO4 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06d900ec18.30584588 |
| BAC0010276 |  |
DIHYDREXIDINE || (+)-Dihydrexidine || UNII-Q3PJ4B4D0X || Q3PJ4B4D0X || CHEMBL25856 | C17H17NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06dd81d843.52990618 |
| BAC0010277 |  |
Lurasidone || 367514-87-2 || UNII-22IC88528T || (3aR,4S,7R,7aS)-2-((1R,2R)-2-(4-(1,2-Benzothiazol-3-yl)piperazin-1-ylmethyl)cyclohexylmethyl)hexahydro-4,7-methano-2H-isoindole-1,3-dione || CHEBI:70735 | C28H36N4O2S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06e3f37424.77402888 |
| BAC0010381 |  |
65621-78-5 || cis-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole || cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole || EINECS 265-846-7 || SCHEMBL11537117 | C17H16ClNO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06e91d6a81.52822896 |
| BAC0010383 |  |
Dapoxetine || 119356-77-3 || (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-1-phenylpropan-1-amine || Dapoxetine hydrochloride || Dapoxetinum | C21H23NO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06f197cf68.22870779 |
| BAC0010384 |  |
Darifenacin || Enablex || Emselex || 133099-04-4 || UNII-APG9819VLM | C28H30N2O2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06f7048f99.37308326 |
| BAC0010385 |  |
R-(-)-O-Desmethyl Venlafaxine || 142761-11-3 || (-)-O-Desmethylvenlafaxine || O-Desmethylvenlafaxine, (-)- || UNII-HY5T9WKI4O | C16H25NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e06fbf0a9f3.75960989 |
| BAC0010386 |  |
(R)-prasugrel || RBI2VVD1WM || UNII-RBI2VVD1WM || Prasugrel, (R)- || SCHEMBL18546225 | C20H20FNO3S |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e07009225a6.75497699 |
| BAC0010387 |  |
Ramelteon || 196597-26-9 || Rozerem || TAK-375 || (S)-N-[2-(1,6,7,8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide | C16H21NO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0707767633.66587897 |
| BAC0010388 |  |
rasagiline || 136236-51-6 || (R)-N-(2-Propynyl)-2,3-dihydroinden-1-amine || (R)-2,3-dihydro-N-2-propynyl-1H-inden-1-amine || (R)-N-2-Propynyl-1-indanamine | C12H13N |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e070c6d1025.41404860 |
| BAC0010389 |  |
Rotigotine || 99755-59-6 || Neupro || Leganto || Rotigotine CDS Patch | C19H25NOS |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e070ee545b8.47415639 |
| BAC0010390 |  |
Rufinamide || 106308-44-5 || Inovelon || Banzel || 1-(2,6-Difluorobenzyl)-1H-1,2,3-triazole-4-carboxamide | C10H8F2N4O |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0713a9a935.57690831 |
| BAC0010392 |  |
(S)-eberconazole || CHEBI:83588 || UNII-66T020757Q || ZINC5117478 || 66T020757Q | C18H14Cl2N2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e071812d1e2.77336230 |
| BAC0010393 |  |
Eslicarbazepine || 104746-04-5 || (S)-10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide || S-licarbazepine || UNII-S5VXA428R4 | C15H14N2O2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e071d053dd9.39212296 |
| BAC0010395 |  |
Tapentadol || 175591-23-8 || Nucynta || Palexia || UNII-H8A007M585 | C14H23NO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0721a5e4f9.95323692 |
| BAC0010396 |  |
Imidafenacin || 170105-16-5 || Uritos || KRP-197 || UNII-XJR8Y07LJO | C20H21N3O |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e0726acc433.60880273 |
| BAC0010397 |  |
Lacosamide || 175481-36-4 || Erlosamide || (R)-2-acetamido-N-benzyl-3-methoxypropanamide || Harkoseride | C13H18N2O3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e072b76e5c1.58665930 |
| BAC0010398 |  |
Lumiracoxib || 220991-20-8 || Prexige || COX-189 || COX 189 | C15H13ClFNO2 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e073031ba03.35467218 |
| BAC0010399 |  |
PIRFENIDONE || 53179-13-8 || 5-methyl-1-phenylpyridin-2(1H)-one || Esbriet || AMR-69 | C12H11NO |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e073909f791.73895551 |
| BAC0010400 |  |
Varenicline || 249296-44-4 || UNII-W6HS99O8ZO || CP 526555 || W6HS99O8ZO | C13H13N3 |
Lipinski's:
Veber's: Subset(s): Central Nervous System |
5e0e073e333275.59823803 |
| BAC0010407 |  |
sertraline || 79617-96-2 || (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine || Sertralina || Sertralinum | C17H17Cl2N |
Ligand: SRE PDB: 6AWO Lipinski's: Veber's: Subset(s): Central Nervous System |
5e0e0742b03c15.56068312 |
| BAC0010408 |  |
Esreboxetine || Reboxetine || (S,S)-reboxetine || Vestra || 98819-76-2 | C19H23NO3 |
Ligand: 41X PDB: 4XNX Lipinski's: Veber's: Subset(s): Central Nervous System |
5e0e07472d3229.43594471 |
| BAC0010410 |  |
imipramine || Melipramine || Imidobenzyle || 50-49-7 || Antideprin | C19H24N2 |
Ligand: IXX PDB: 2Q72 Lipinski's: Veber's: Subset(s): Central Nervous System |
5e0e074c060266.69373083 |
| BAC0010411 |  |
galanthamine || Galantamine || 357-70-0 || (-)-Galanthamine || Lycoremin | C17H21NO3 |
Ligand: GNT PDB: 1DX6 Lipinski's: Veber's: Subset(s): Central Nervous System |
5e0e0753eaa752.49665509 |
| BAC0010412 |  |
cocaine || Kokain || Neurocaine || Cocain || Cocaina | C17H21NO4 |
Ligand: COC PDB: 1I7Z Lipinski's: Veber's: Subset(s): Central Nervous System |
5e0e075882e754.86204743 |
| BAC0010413 |  |
clomipramine || Chlorimipramine || 303-49-1 || Monochlorimipramine || 3-Chloroimipramine | C19H23ClN2 |
Ligand: CXX PDB: 6G9I Lipinski's: Veber's: Subset(s): Central Nervous System |
5e0e075d8a33c7.33360651 |
| BAC0010414 |  |
Escitalopram || (S)-Citalopram || 128196-01-0 || S(+)-Citalopram || (+)-Citalopram | C20H21FN2O |
Ligand: 68P PDB: 5I71 Lipinski's: Veber's: Subset(s): Central Nervous System |
5e0e07625de503.49492957 |