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Ligand

NameCHEMBL3814251
Molecular formulaC16H10ClF3N2O2
IUPAC name6-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-2-carboxylic acid
Molecular weight354.713
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50178708
Inchi KeyHFVXRVDWIOTTNL-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H10ClF3N2O2/c17-11-5-13-12(21-7-11)6-14(15(23)24)22(13)8-9-1-3-10(4-2-9)16(18,19)20/h1-7H,8H2,(H,23,24)
PubChem CID127053026
ChEMBLCHEMBL3814251
IUPHARN/A
BindingDB50178708
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
524800C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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