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Ligand

NameCHEMBL3975274
Molecular formulaC24H29FN4O2
IUPAC nameN-[3-[[4-[(3S)-3-fluoropyrrolidine-1-carbonyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight424.52
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM243940
US9428456, 2.053
Inchi KeyBLYLYYYSFJHHDJ-NRFANRHFSA-N
Inchi IDInChI=1S/C24H29FN4O2/c1-17-11-20(14-26-13-17)23(30)27-22-4-2-3-18(12-22)15-28-8-5-19(6-9-28)24(31)29-10-7-21(25)16-29/h2-4,11-14,19,21H,5-10,15-16H2,1H3,(H,27,30)/t21-/m0/s1
PubChem CID129626228
ChEMBLCHEMBL3975274
IUPHARN/A
BindingDB243940
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
534011Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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