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]
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
ChEBI ID
CHEMBL1288011
CAS Number
5531-75-9
TTD ID
D0H3LU
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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.