Details of the Drug

General Information of Drug (ID: DML97WV)

Drug Name

Pemirolast

Synonyms

Pemirolastum; Pemirox; Pemirolast [INN]; Pemiroplast Potassium; Alamast (TN); Alegysal (TN); Pemirolast (INN); Pemirolastum [INN-Latin]; Pemirox (TN); 9-TBX; 9-methyl-3-(1H-tetrazol-5-yl)-4H-pyrido(1,2-a)pyrimidin-4-one; 9-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

Indication

Disease Entry	ICD 11	Status	REF
Allergic conjunctivitis	9A60.02	Approved	[1]
Allergic rhinitis	CA08.0	Approved	[2]
Asthma	CA23	Investigative	[2]
------------------------------------------------------------------------------------

Therapeutic Class

Antiallergic Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

228.21

Logarithm of the Partition Coefficient (xlogp)

-0.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 4.5 hours (ophthalmic) [3]
Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C10H8N6O
IUPAC Name: 9-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
Canonical SMILES: CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3
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)
InChIKey: HIANJWSAHKJQTH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 57697
ChEBI ID: CHEBI:134936
CAS Number: 69372-19-6
DrugBank ID: DB00885
TTD ID: D0K5LQ
VARIDT ID: DR01407

Repurposed Drugs (RPD)

Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Antagonist	[4]

------------------------------------------------------------------------------------

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Multidrug resistance-associated protein 2 (ABCC2)	DTFI42L	MRP2_HUMAN	Substrate	[5]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Substrate	[5]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Allergic conjunctivitis

ICD Disease Classification

9A60.02

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H1 receptor (H1R)	DTT	HRH1	4.04E-01	0.06	0.17
P-glycoprotein 1 (ABCB1)	DTP	P-GP	5.18E-01	7.81E-02	2.92E-01
Multidrug resistance-associated protein 2 (ABCC2)	DTP	MRP2	9.43E-01	6.45E-02	3.37E-01

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7329).
2	Pemirolast FDA Label
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4	The effect of a combined therapy with a histamine H1 antagonist and a chemical mediator release inhibitor on allergic conjunctivitis. Ophthalmologica. 2008;222(4):232-9.
5	Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.