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Ligand

NameCHEMBL3797846
Molecular formulaC17H17N3O2
IUPAC name(3aR,4S,9bS)-4-(4-nitrophenyl)-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,2-c]quinoline
Molecular weight295.342
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
SynonymsN/A
Inchi KeySUDBTLPGDQMMHS-USXIJHARSA-N
Inchi IDInChI=1S/C17H17N3O2/c21-20(22)12-7-5-11(6-8-12)16-14-9-10-18-17(14)13-3-1-2-4-15(13)19-16/h1-8,14,16-19H,9-10H2/t14-,16+,17+/m0/s1
PubChem CID127045848
ChEMBLCHEMBL3797846
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
530654G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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