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Ligand

NameCHEMBL3974763
Molecular formulaC25H32N4O2
IUPAC nameN-[3-[[3-(cyclohexylcarbamoyl)pyrrolidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight420.557
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM243950
US9428456, 2.063
Inchi KeyAMVMXOVWZWTOSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N4O2/c1-18-12-21(15-26-14-18)25(31)28-23-9-5-6-19(13-23)16-29-11-10-20(17-29)24(30)27-22-7-3-2-4-8-22/h5-6,9,12-15,20,22H,2-4,7-8,10-11,16-17H2,1H3,(H,27,30)(H,28,31)
PubChem CID129626238
ChEMBLCHEMBL3974763
IUPHARN/A
BindingDB243950
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
536229Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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