Details of the Drug

General Information of Drug (ID: DMUPKYO)

Drug Name
CGS-13080
Synonyms
PIRMAGREL; CGS-13080; Pirmagrelum [Latin]; Pirmgrel; Pirmagrel [USAN:INN]; UNII-9J5H2VA91V; CGS 13080; 85691-74-3; CHEMBL48092; 9J5H2VA91V; Imidazo(1,5-a)pyridine-5-hexanoic acid; Pirmagrelum; Imidazo[1,5-a]pyridine-5-hexanoic acid; Pirmagrel (USAN/INN); AC1L1IZ7; SCHEMBL636018; DTXSID80234982; LIFOFTJHFFTNRV-UHFFFAOYSA-N; ZINC2021333; BDBM50025953; imidazol(1,5-a)pyridine-5-hexanoic acid; LS-177888; 6-imidazo[1,5-a]pyridin-5-ylhexanoic acid; 5-(5-carboxypentyl)imidazo[1,5-a]pyridine; 5-(5-carboxypentyl)-imidazo[1,5-a]pyridine
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 232.28
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H16N2O2
IUPAC Name
6-imidazo[1,5-a]pyridin-5-ylhexanoic acid
Canonical SMILES
C1=CC2=CN=CN2C(=C1)CCCCCC(=O)O
InChI
InChI=1S/C13H16N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,16,17)
InChIKey
LIFOFTJHFFTNRV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
55390
ChEBI ID
CHEMBL48092
CAS Number
85691-74-3
TTD ID
D09QRO
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thromboxane-A synthase (TBXAS1) TTKNWZ4 THAS_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thromboxane-A synthase (TBXAS1) DTT TBXAS1 6.56E-01 0.02 0.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000262)
2 Imidazo[1,5-a]pyridines: a new class of thromboxane A2 synthetase inhibitors. J Med Chem. 1985 Feb;28(2):164-70.