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Ligand

NameCHEMBL26118
Molecular formulaC16H21NO
IUPAC name(3aR,9bS)-9-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
Molecular weight243.35
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.2
Synonyms(3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
(3aR,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
(3aS,9bR) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
(Recemic) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
2,3,3abeta,4,5,9bbeta-Hexahydro-3-allyl-9-methoxy-1H-benz[e]indole
[ Show all ]
Inchi KeyVRRJFCMGNMFNOE-ZIAGYGMSSA-N
Inchi IDInChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1
PubChem CID10105844
ChEMBLCHEMBL26118
IUPHARN/A
BindingDB50034330
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3626185-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
3626195-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
362616D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
362617D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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