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Ligand

NameCHEMBL3685907
Molecular formulaC21H29N3O3
IUPAC name2-[1-[[4-(2,2-dimethylpropanoylamino)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
Molecular weight371.481
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsSCHEMBL10142599
BDBM127147
Inchi KeyAHPMPHNIHPXAMN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O3/c1-6-17-16(12-19(25)26)18(7-2)24(23-17)13-14-8-10-15(11-9-14)22-20(27)21(3,4)5/h8-11H,6-7,12-13H2,1-5H3,(H,22,27)(H,25,26)
PubChem CID58071685
ChEMBLCHEMBL3685907
IUPHARN/A
BindingDB127147
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
5793Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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