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Ligand

NameCHEMBL3963631
Molecular formulaC25H31ClN4O2
IUPAC nameN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight454.999
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.6
SynonymsBDBM243797
US9428456, 1.226
Inchi KeyBEMHXXTYUFFZNQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31ClN4O2/c1-17-12-19(15-27-14-17)25(32)29-22-6-7-23(26)20(13-22)16-30-10-8-18(9-11-30)24(31)28-21-4-2-3-5-21/h6-7,12-15,18,21H,2-5,8-11,16H2,1H3,(H,28,31)(H,29,32)
PubChem CID72704244
ChEMBLCHEMBL3963631
IUPHARN/A
BindingDB243797
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
533994Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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