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Ligand

NameCHEMBL571691
Molecular formulaC28H24BrIN2O3
IUPAC nameN-[2-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethyl]-4-iodobenzamide
Molecular weight643.319
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.8
SynonymsN/A
Inchi KeyWHOFDSBXZMEHJV-IOKPGSKQSA-N
Inchi IDInChI=1S/C28H24BrIN2O3/c29-23-14-26-25(34-15-35-26)13-22(23)27-20-3-1-2-19(20)21-12-16(4-9-24(21)32-27)10-11-31-28(33)17-5-7-18(30)8-6-17/h1-2,4-9,12-14,19-20,27,32H,3,10-11,15H2,(H,31,33)/t19-,20+,27-/m1/s1
PubChem CID45486454
ChEMBLCHEMBL571691
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
373492G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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