pemirolast   Click here for help

GtoPdb Ligand ID: 7329

Synonyms: Alamast® | Alegysal® | BMY-26517
Approved drug
pemirolast is an approved drug (FDA (1999))
Compound class: Synthetic organic
Comment: Pemirolast is an antihistamine.
Marketed formulations may contain pemirolast potassium salt (PubChem CID 443866).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 88.83
Molecular weight 228.08
XLogP 1.81
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cccn2c1ncc(c2=O)c1n[nH]nn1
Isomeric SMILES Cc1cccn2c1ncc(c2=O)c1n[nH]nn1
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1999))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6449 pemirolast
Synonyms Click here for help
Alamast® | Alegysal® | BMY-26517
Database Links Click here for help
BitterDB Ligand 938
CAS Registry No. 69372-19-6
ChEMBL Ligand CHEMBL1201198
DrugBank Ligand DB00885
DrugCentral Ligand 2074
GtoPdb PubChem SID 178103901
PubChem CID 57697
Search Google for chemical match using the InChIKey HIANJWSAHKJQTH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey HIANJWSAHKJQTH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HIANJWSAHKJQTH-UHFFFAOYSA-N
Wikipedia Pemirolast