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Ligand

NameCHEMBL569504
Molecular formulaC28H25BrIN3O3
IUPAC name1-[2-[(3aS,4R,9bR)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethyl]-3-(3-iodophenyl)urea
Molecular weight658.334
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP6.5
SynonymsN/A
Inchi KeyZAKNBQXENRAVAB-IOKPGSKQSA-N
Inchi IDInChI=1S/C28H25BrIN3O3/c29-23-14-26-25(35-15-36-26)13-22(23)27-20-6-2-5-19(20)21-11-16(7-8-24(21)33-27)9-10-31-28(34)32-18-4-1-3-17(30)12-18/h1-5,7-8,11-14,19-20,27,33H,6,9-10,15H2,(H2,31,32,34)/t19-,20+,27-/m1/s1
PubChem CID45486459
ChEMBLCHEMBL569504
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
423719G-protein coupled estrogen receptor 1Q99527GPER1Homo sapiens (Human)375

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