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Ligand

NameCHEMBL3899484
Molecular formulaC24H32N4O3
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
Molecular weight424.545
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM243486
US9428456, 1.005
Inchi KeyAIHLALPAPQQMMF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H32N4O3/c1-17-14-22(27-31-17)24(30)26-21-9-5-6-18(15-21)16-28-12-10-19(11-13-28)23(29)25-20-7-3-2-4-8-20/h5-6,9,14-15,19-20H,2-4,7-8,10-13,16H2,1H3,(H,25,29)(H,26,30)
PubChem CID129625938
ChEMBLCHEMBL3899484
IUPHARN/A
BindingDB243486
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
533931Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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