Details of the Drug

General Information of Drug (ID: DM7L3DE)

Drug Name
NSC-78021
Synonyms NSC-78021; CHEMBL1288457; AC1NMT0D; ZINC1713905; BDBM50332194; 4,7-dimethylpyrido[2,3-c]carbazol-4-ium
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 247.31
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 0
Chemical Identifiers
Formula
C17H15N2+
IUPAC Name
4,7-dimethylpyrido[2,3-c]carbazol-4-ium
Canonical SMILES
CN1C2=C(C3=C(C=C2)[N+](=CC=C3)C)C4=CC=CC=C41
InChI
InChI=1S/C17H15N2/c1-18-11-5-7-12-14(18)9-10-16-17(12)13-6-3-4-8-15(13)19(16)2/h3-11H,1-2H3/q+1
InChIKey
IAQYIJJPLDSORP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5015534
TTD ID
D07OAH

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]
Molecular Interaction Atlas (MIA) 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.