PEMIROLAST

Search structure
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 2C09NV773M

Structure
InChI Key HIANJWSAHKJQTH-UHFFFAOYSA-N
Smile Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12
InChI
InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8N6O
Molecular Weight 228.22
AlogP 0.18
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 88.83
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Carboxylic acid receptor Kynurenic acid receptor
95 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials
Aortic Aneurysm, Abdominal 2 D017544 ClinicalTrials
Muscular Dystrophy, Duchenne 2 D020388 ClinicalTrials
Muscular Dystrophy, Duchenne 2 D020388 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 69372-19-6
ChEBI 134936
ChEMBL CHEMBL1201198
DrugBank DB00885
DrugCentral 2074
EPA CompTox DTXSID1048338
FDA SRS 2C09NV773M
Human Metabolome Database HMDB0015023
Guide to Pharmacology 7329
PharmGKB PA164781018
PubChem 57697
SureChEMBL SCHEMBL29036
ZINC ZINC000005783214
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