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Ligand

NameMLS000733354
Molecular formulaC22H29FN4O
IUPAC name[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
Molecular weight384.499
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.6
SynonymsMolPort-005-104-749
ZINC12706268
MCULE-5100067161
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(1-piperidinylcarbonyl)piperidine
Opera_ID_438
[ Show all ]
Inchi KeyABUNWICRDNZABO-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29FN4O/c1-25-15-18(21(24-25)19-7-3-4-8-20(19)23)16-26-13-9-17(10-14-26)22(28)27-11-5-2-6-12-27/h3-4,7-8,15,17H,2,5-6,9-14,16H2,1H3
PubChem CID16189158
ChEMBLCHEMBL1384799
IUPHARN/A
BindingDBN/A
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
463106Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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