Details of the Drug

General Information of Drug (ID: DM3SYH5)

Drug Name

GNF-PF-67

Synonyms

Toxoflavin; Toxoflavine; Xanthothricin; Xanthotricin; 84-82-2; Xanthothricin (VAN); UNII-5N5YI4IP1P; GNF-Pf-67; NSC 67078; 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione; 1,6-Dimethylpyrimido(5,4-e)-as-triazine-5,7(1H,6H)-dione; 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione; BRN 0021014; 5N5YI4IP1P; MLS000087831; CHEBI:80729; NSC67078; 1,6-Dimethyl-5,7-dioxo-1,5,6,7-tetrahydropyrimido(5,4-E)-as-triazine-5,7(1H,6H)-dione; SMR000024051; Pyrimido(5,4-e)-as-triazine-5,7-(1H,6H)-dione, 1,6-dimethyl-

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)

193.16

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: C7H7N5O2
IUPAC Name: 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Canonical SMILES: CN1C2=NC(=O)N(C(=O)C2=NC=N1)C
InChI: InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
InChIKey: SLGRAIAQIAUZAQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 66541
ChEBI ID: CHEBI:80729
CAS Number: 84-82-2
TTD ID: D07WDQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Heat shock protein 90 alpha (HSP90A)	TT78R5H	HS90A_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
G1/S-specific cyclin-D1 (CCND1)	OT8HPTKJ	CCND1_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
Heat shock protein 90 alpha (HSP90A)	DTT	HSP90AA1	3.96E-01	0.18	0.48

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
2	Small-molecule antagonists of the oncogenic Tcf/beta-catenin protein complex. Cancer Cell. 2004 Jan;5(1):91-102. doi: 10.1016/s1535-6108(03)00334-9.