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Ligand

NameCHEMBL3981571
Molecular formulaC22H25F3N4O2
IUPAC nameN-[3-[[4-(ethylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight434.463
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.9
SynonymsSCHEMBL17270303
BDBM243580
US9428456, 2.069
Inchi KeyBKESTNCJVNVCBY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25F3N4O2/c1-2-26-20(30)16-9-11-29(12-10-16)14-15-5-3-6-17(13-15)27-21(31)18-7-4-8-19(28-18)22(23,24)25/h3-8,13,16H,2,9-12,14H2,1H3,(H,26,30)(H,27,31)
PubChem CID72705224
ChEMBLCHEMBL3981571
IUPHARN/A
BindingDB243580
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
534007Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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