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Ligand

NameCHEMBL1716544
Molecular formulaC21H20FN3O3
IUPAC name4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid
Molecular weight381.407
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsHMS2556N08
MolPort-004-275-090
AKOS024300985
Z57008904
4-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutanoic acid
[ Show all ]
Inchi KeyBBMMUTCDVDPEJZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20FN3O3/c1-24(19(26)11-12-20(27)28)13-16-14-25(18-5-3-2-4-6-18)23-21(16)15-7-9-17(22)10-8-15/h2-10,14H,11-13H2,1H3,(H,27,28)
PubChem CID2121575
ChEMBLCHEMBL1716544
IUPHARN/A
BindingDB50187506
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
522040Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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