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Ligand

NameCHEMBL3685923
Molecular formulaC25H29N3O3
IUPAC name2-[1-[(4-benzamidophenyl)methyl]-5-propan-2-yl-3-propylpyrazol-4-yl]acetic acid
Molecular weight419.525
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsUS8791272, 2.39
BDBM127163
SCHEMBL10142690
Inchi KeyAHDHIBQLXZTJHQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O3/c1-4-8-22-21(15-23(29)30)24(17(2)3)28(27-22)16-18-11-13-20(14-12-18)26-25(31)19-9-6-5-7-10-19/h5-7,9-14,17H,4,8,15-16H2,1-3H3,(H,26,31)(H,29,30)
PubChem CID58071688
ChEMBLCHEMBL3685923
IUPHARN/A
BindingDB127163
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
5447Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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