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Ligand

NameS33084
Molecular formulaC29H29N3O2
IUPAC nameN-[4-[(3aR,9bS)-8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl]butyl]-4-phenylbenzamide
Molecular weight451.57
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsS-33084
D0K5EE
S 33084
GTPL129
CHEMBL65280
[ Show all ]
Inchi KeyQQJHRQZZCNYDMX-VPUSJEBWSA-N
Inchi IDInChI=1S/C29H29N3O2/c30-17-21-8-13-28-26(16-21)27-19-32(18-25(27)20-34-28)15-5-4-14-31-29(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22/h1-3,6-13,16,25,27H,4-5,14-15,18-20H2,(H,31,33)/t25-,27+/m1/s1
PubChem CID9868452
ChEMBLCHEMBL65280
IUPHAR129
BindingDB85672
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 20
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2843945-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2843965-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2843935-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2843975-hydroxytryptamine receptor 1BO08892HTR1BCavia porcellus (Guinea pig)389
2843835-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2843865-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5565785-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
2843885-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2843895-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
284398Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
284390Alpha-2A adrenergic receptorP22909Adra2aRattus norvegicus (Rat)450
284392D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
284400D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
284387D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
284385D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
284391D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
284384D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
284399D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
556577D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
284395Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460

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