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Ligand

NameCHEMBL3971504
Molecular formulaC22H25FN4O2
IUPAC nameN-[3-[[4-(cyclopropylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-fluoropyridine-2-carboxamide
Molecular weight396.466
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.3
SynonymsSCHEMBL17270161
BDBM243776
US9428456, 1.205
Inchi KeyBRHSYAUJKGXSDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25FN4O2/c23-17-4-7-20(24-13-17)22(29)26-19-3-1-2-15(12-19)14-27-10-8-16(9-11-27)21(28)25-18-5-6-18/h1-4,7,12-13,16,18H,5-6,8-11,14H2,(H,25,28)(H,26,29)
PubChem CID118521871
ChEMBLCHEMBL3971504
IUPHARN/A
BindingDB243776
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
534028Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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