Details of the Drug

General Information of Drug (ID: DM5ZBF3)

Drug Name

TRIAZOLOPYRIMIDINE

Synonyms

8-Azapurine; 273-40-5; 2H-triazolo[4,5-d]pyrimidine; 179268-22-5; 6H-1,2,3-Triazolo[4,5-d]pyrimidine; 2H-1,2,3-Triazolo[4,5-d]pyrimidine; 3H-1,2,3-Triazolo[4,5-d]pyrimidine; 3H-[1,2,3]triazolo[4,5-d]pyrimidine; triazolo[4,5-d]pyrimidine; triazolo(4,5-d)pyrimidine; 273-39-2; 99331-25-6; 3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDINE; ACMC-1CNOM; AC1L22AZ; SCHEMBL26606; 179268-21-4; SCHEMBL11026556; CTK1A0899; CTK0H1173; CTK0H1170; CTK3G7531; CTK0H1174; DTXSID80181745; GIIGHSIIKVOWKZ-UHFFFAOYSA-N; ZINC2020258; ACM273405; FCH907879; AKOS006372727

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

121.1

Logarithm of the Partition Coefficient (xlogp)

-0.4

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C4H3N5
IUPAC Name: 2H-triazolo[4,5-d]pyrimidine
Canonical SMILES: C1=NC=NC2=NNN=C21
InChI: InChI=1S/C4H3N5/c1-3-4(6-2-5-1)8-9-7-3/h1-2H,(H,5,6,7,8,9)
InChIKey: GIIGHSIIKVOWKZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 64962
CAS Number: 273-40-5
DrugBank ID: DB04669
TTD ID: D0P7RO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 2 (CDK2)	TT7HF4W	CDK2_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cellular tumor antigen p53 (TP53)	OTIE1VH3	P53_HUMAN	Gene/Protein Processing	[2]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[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

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cyclin-dependent kinase 2 (CDK2)	DTT	CDK2	2.28E-06	0.12	0.19

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	8-Azapurines as new inhibitors of cyclin-dependent kinases. Bioorg Med Chem. 2005 Sep 15;13(18):5399-407. doi: 10.1016/j.bmc.2005.06.007.