Details of the Drug

General Information of Drug (ID: DM8LYSB)

Drug Name

Triazine

Synonyms

Anilazine; DYRENE; Zinochlor; Anilazin; Kemate; 101-05-3; Bortrysan; Triazin; Triasyn; Triasym; Direz; Dyrene 50W; Aniyaline; Dyrene Flussig; Triazine (pesticide); 4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine; 2,4-Dichloro-6-(o-chloroanilino)-s-triazine; NCI-C08684; (o-Chloroanilino)dichlorotriazine; Triazine (VAN); NSC 3851; Caswell No. 302; 2,4-Dichloro-6-(2-chloroanilino)-1,3,5-triazine; Dairene; Anilazine [BSI:ISO]; ENT 26,058; 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(2-chlorophenyl)-; UNII-C6E8Y03ZJN; B-622; CCRIS 43

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)

81.08

Logarithm of the Partition Coefficient (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C3H3N3
IUPAC Name: triazine
Canonical SMILES: C1=CN=NN=C1
InChI: InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H
InChIKey: JYEUMXHLPRZUAT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 123047
ChEBI ID: CHEBI:38058
CAS Number: 12654-97-6
TTD ID: D02TJY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1A2 (CYP1A2)	OTLLBX48	CP1A2_HUMAN	Regulation of Drug Effects	[2]
NAD(P)H dehydrogenase 1 (NQO1)	OTZGGIVK	NQO1_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Kinetics of inhibition of human and rat dihydroorotate dehydrogenase by atovaquone, lawsone derivatives, brequinar sodium and polyporic acid. Chem Biol Interact. 2000 Jan 3;124(1):61-76.
2	Identification of enzymes involved in the metabolism of atrazine, terbuthylazine, ametryne, and terbutryne in human liver microsomes. Chem Res Toxicol. 1997 Sep;10(9):1037-44. doi: 10.1021/tx970081l.
3	NRH:quinone oxidoreductase2 (NQO2). Chem Biol Interact. 2000 Dec 1;129(1-2):99-112.