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Ligand

NameCHEMBL3972507
Molecular formulaC25H34N4O2
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-methylphenyl]-5-methylpyridine-3-carboxamide
Molecular weight422.573
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM243678
US9428456, 1.299
Inchi KeyCNPSUXHTFPXRSC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H34N4O2/c1-17-12-20(15-26-14-17)23(30)27-22-7-6-18(2)21(13-22)16-29-10-8-19(9-11-29)24(31)28-25(3,4)5/h6-7,12-15,19H,8-11,16H2,1-5H3,(H,27,30)(H,28,31)
PubChem CID72704649
ChEMBLCHEMBL3972507
IUPHARN/A
BindingDB243678
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
534108Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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