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Ligand

NameCHEMBL3917109
Molecular formulaC25H32N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
Molecular weight420.557
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM243484
BWDCZCZCLMZHCR-UHFFFAOYSA-N
N-[3-(4-Cyclohexylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-nicotinamide
US9428456, 1.003
Inchi KeyBWDCZCZCLMZHCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N4O2/c30-24(27-22-8-2-1-3-9-22)20-11-14-29(15-12-20)18-19-6-4-10-23(16-19)28-25(31)21-7-5-13-26-17-21/h4-7,10,13,16-17,20,22H,1-3,8-9,11-12,14-15,18H2,(H,27,30)(H,28,31)
PubChem CID129625936
ChEMBLCHEMBL3917109
IUPHARN/A
BindingDB243484
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
534043Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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