Details of the Drug

General Information of Drug (ID: DMA53YD)

Drug Name

NSC-86715

Synonyms

NSC-86715; 5-methyl-1-phenyl-6H-pyrido[4,3-b]carbazole; CHEMBL1288011; 5531-75-9; NSC86715; NCIOpen2_009547; AC1L5Y57; CTK6B4044; DTXSID10293002; ZINC13282980; BDBM50332195

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): 1

Molecular Weight (mw)

308.4

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C22H16N2
IUPAC Name: 5-methyl-1-phenyl-6H-pyrido[4,3-b]carbazole
Canonical SMILES: CC1=C2C(=CC3=C1C=CN=C3C4=CC=CC=C4)C5=CC=CC=C5N2
InChI: InChI=1S/C22H16N2/c1-14-16-11-12-23-22(15-7-3-2-4-8-15)18(16)13-19-17-9-5-6-10-20(17)24-21(14)19/h2-13,24H,1H3
InChIKey: ORUPXFHZHTYMFL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 258058
CAS Number: 5531-75-9
TTD ID: D0H3LU

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.