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
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.