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Ligand

NameCHEMBL133168
Molecular formulaC17H14ClNO3
IUPAC name5-chloro-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid
Molecular weight315.753
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50138339
5-Chloro-1-(4-methoxy-benzyl)-1H-indole-2-carboxylic acid
Inchi KeyAPLJFWYNARKWQQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H14ClNO3/c1-22-14-5-2-11(3-6-14)10-19-15-7-4-13(18)8-12(15)9-16(19)17(20)21/h2-9H,10H2,1H3,(H,20,21)
PubChem CID44353369
ChEMBLCHEMBL133168
IUPHARN/A
BindingDB50138339
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
11105C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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