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Ligand

NameCHEMBL3974670
Molecular formulaC24H29F3N4O2
IUPAC nameN-[3-[[4-(butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight462.517
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL17270245
BDBM243716
US9428456, 2.095
Inchi KeyCRTPDMOTJUVUTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29F3N4O2/c1-2-3-12-28-22(32)18-10-13-31(14-11-18)16-17-6-4-7-19(15-17)29-23(33)20-8-5-9-21(30-20)24(25,26)27/h4-9,15,18H,2-3,10-14,16H2,1H3,(H,28,32)(H,29,33)
PubChem CID118521939
ChEMBLCHEMBL3974670
IUPHARN/A
BindingDB243716
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
534128Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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