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Ligand

NameCHEMBL566178
Molecular formulaC19H15BrINO2
IUPAC name(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-7-iodo-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Molecular weight496.142
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsN/A
Inchi KeyHZNVISMFWYWUHD-MJLGCCKJSA-N
Inchi IDInChI=1S/C19H15BrINO2/c20-15-8-18-17(23-9-24-18)7-14(15)19-13-3-1-2-11(13)12-5-4-10(21)6-16(12)22-19/h1-2,4-8,11,13,19,22H,3,9H2/t11-,13-,19+/m0/s1
PubChem CID45486440
ChEMBLCHEMBL566178
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
127868G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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