AZD1981

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Synonyms
Status
Molecule Category Free-form
UNII 2AD53WQ2CX

Structure

InChI Key JWYIGNODXSRKGP-UHFFFAOYSA-N
Smiles CC(=O)Nc1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O
InChI
InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClN2O3S
Molecular Weight 388.88
AlogP 4.8
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 71.33
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
G protein-coupled receptor 44 antagonist ANTAGONIST PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 794 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Prostanoid receptor
- 4.3-10 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 4.3-794 - - -

Target Conservation

Protein: G protein-coupled receptor 44
Description: Prostaglandin D2 receptor 2
Organism : Homo sapiens
Q9Y5Y4 ENSG00000183134

Cross References

Resources Reference
ChEMBL CHEMBL1914489
DrugBank DB11946
FDA SRS 2AD53WQ2CX
Guide to Pharmacology 7680
SureChEMBL SCHEMBL1053662
ZINC ZINC000073196066
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