Details of the Drug

General Information of Drug (ID: DMVFZKQ)

Drug Name

NSC-669977

Synonyms

NSC-669977; NSC669977; CHEMBL1288458; 6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone; AC1L8JA7; AC1Q1UC1; CTK7D1361; BDBM50332187; NCI60_024491; 5-diazenyl-1-methyl-3-phenyl-2H-quinolin-6-amine; 6-imino-1-methyl-3-phenyl-2H-quinolin-5-one hydrazone

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)

264.32

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H16N4
IUPAC Name: 5-diazenyl-1-methyl-3-phenyl-2H-quinolin-6-amine
Canonical SMILES: CN1CC(=CC2=C1C=CC(=C2N=N)N)C3=CC=CC=C3
InChI: InChI=1S/C16H16N4/c1-20-10-12(11-5-3-2-4-6-11)9-13-15(20)8-7-14(17)16(13)19-18/h2-9,18H,10,17H2,1H3
InChIKey: VZQKWRKRDCBNCA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 382414
TTD ID: D03GWA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Quinone reductase 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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.