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]
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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
CAS Number: 85691-74-3
TTD ID: D09QRO

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.