Details of the Drug

General Information of Drug (ID: DM6IF8N)

Drug Name
NSC-300853
Synonyms NSC-300853; CHEMBL1288134; NSC300853; AC1L6ZUJ; BDBM50332201; ZINC17750338; ZINC104202918; 9-ethyl-2-[(4-nitrophenyl)diazenyl]carbazol-3-amine
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) 359.4
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H17N5O2
IUPAC Name
9-ethyl-2-[(4-nitrophenyl)diazenyl]carbazol-3-amine
Canonical SMILES
CCN1C2=CC=CC=C2C3=CC(=C(C=C31)N=NC4=CC=C(C=C4)[N+](=O)[O-])N
InChI
InChI=1S/C20H17N5O2/c1-2-24-19-6-4-3-5-15(19)16-11-17(21)18(12-20(16)24)23-22-13-7-9-14(10-8-13)25(26)27/h3-12H,2,21H2,1H3
InChIKey
WTQFEDKUNFYXPZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
327137
TTD ID
D01WRT

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.