Details of the Drug

General Information of Drug (ID: DM9KAI5)

• Drug Name: 1H-1,2,3-benzotriazol-1-amine
• Synonyms: 1-aminobenzotriazole; 1614-12-6; 1H-Benzotriazol-1-amine; 1H-benzo[d][1,2,3]triazol-1-amine; 1-Benzotriazolamine; benzotriazol-1-amine; 1H-1,2,3-Benzotriazol-1-amine; 1-Abtz; 1H-1,2,3-Benzotriazol-1-ylamine; UNII-9EFF75BJ1O; NSC 114498; 9EFF75BJ1O; CHEMBL101168; benzotriazolylamine; MFCD00132902; NSC656987; 1-Aminobenzotriazole, 98%; AK-830/25033013; Q-102063; 1-benzotriazolylamine; benzotriazol-1-ylamine; PubChem19954; rarechem aq nn 0550; ACMC-1BVFA; AC1L1BBK; timtec-bb sbb004208; Lopac-A-3940; ABT; 1-Benzotriazolamine

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 134.14
  Topological Polar Surface Area (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C6H6N4
  IUPAC Name: benzotriazol-1-amine
  Canonical SMILES: C1=CC=C2C(=C1)N=NN2N
  InChI: InChI=1S/C6H6N4/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H,7H2
  InChIKey: JCXKHYLLVKZPKE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1367
  CAS Number: 1614-12-6
  TTD ID: D07ANY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Albendazole monooxygenase (CYP3A4)	TTXV4FI	CP3A4_HUMAN	Inhibitor	[1]
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]

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
Albendazole monooxygenase (CYP3A4)	DTT	CYP3A4	1.02E-14	-3.12	-2.25

References

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