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Ligand

NameCHEMBL3814037
Molecular formulaC19H19ClN2O2
IUPAC name1-[(4-tert-butylphenyl)methyl]-5-chloropyrrolo[2,3-c]pyridine-2-carboxylic acid
Molecular weight342.823
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50178706
Inchi KeyARCHGMQDESJEIQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClN2O2/c1-19(2,3)14-6-4-12(5-7-14)11-22-15(18(23)24)8-13-9-17(20)21-10-16(13)22/h4-10H,11H2,1-3H3,(H,23,24)
PubChem CID127053022
ChEMBLCHEMBL3814037
IUPHARN/A
BindingDB50178706
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
521815C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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