Details of the Drug

General Information of Drug (ID: DMWHYND)

Drug Name
NSC-745888
Synonyms NSC-745888
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) 290.23
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H6N2O4
IUPAC Name
naphtho[3,2-f]quinoxaline-2,3,7,12-tetrone
Canonical SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=NC(=O)C(=O)N=C4C=C3
InChI
InChI=1S/C16H6N2O4/c19-13-7-3-1-2-4-8(7)14(20)11-9(13)5-6-10-12(11)18-16(22)15(21)17-10/h1-6H
InChIKey
RVDWAIRPSDRIMH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46225744
TTD ID
D0I0CU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
TERT messenger RNA (TERT mRNA) TTQY2EJ TERT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis, cytotoxicity and human telomerase inhibition activities of a series of 1,2-heteroannelated anthraquinones and anthra[1,2-d]imidazole-6,1... Bioorg Med Chem. 2009 Nov 1;17(21):7418-28.