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Ligand

NameCHEMBL583633
Molecular formulaC21H17BrINO3
IUPAC name1-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
Molecular weight538.179
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.2
SynonymsN/A
Inchi KeyPTILQQUWPSZILU-MTJIALIYSA-N
Inchi IDInChI=1S/C21H17BrINO3/c1-10(25)11-5-14-12-3-2-4-13(12)20(24-21(14)17(23)6-11)15-7-18-19(8-16(15)22)27-9-26-18/h2-3,5-8,12-13,20,24H,4,9H2,1H3/t12-,13+,20-/m1/s1
PubChem CID45486410
ChEMBLCHEMBL583633
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
268396G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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