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Ligand

NameCHEMBL286520
Molecular formulaC36H32Cl2N4O3
IUPAC name2-[1-butyl-5-(4-cyanobenzoyl)pyrrol-2-yl]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
Molecular weight639.577
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.6
Synonyms2-[1-Butyl-5-(4-cyano-benzoyl)-1H-pyrrol-2-yl]-N-[2,4-dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-N-methyl-acetamide
BDBM50126263
N-[2,4-Dichloro-3-(2-methyl-8-quinolinyloxymethyl)phenyl]-N-methyl-1-butyl-5-(4-cyanobenzoyl)-1H-pyrrole-2-acetamide
Inchi KeyCHVIKJMAMMBGPY-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H32Cl2N4O3/c1-4-5-19-42-27(15-17-31(42)36(44)26-13-10-24(21-39)11-14-26)20-33(43)41(3)30-18-16-29(37)28(34(30)38)22-45-32-8-6-7-25-12-9-23(2)40-35(25)32/h6-18H,4-5,19-20,22H2,1-3H3
PubChem CID44276513
ChEMBLCHEMBL286520
IUPHARN/A
BindingDB50126263
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
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GLASS IDNameUniProtGeneSpeciesLength
42325B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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