Details of the Drug

General Information of Drug (ID: DM9YAPX)

Drug Name
NSC-745797
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) 370.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H14N2O4
IUPAC Name
2-(4-hydroxy-3-methoxyphenyl)-3H-naphtho[3,2-e]benzimidazole-6,11-dione
Canonical SMILES
COC1=C(C=CC(=C1)C2=NC3=C(N2)C=CC4=C3C(=O)C5=CC=CC=C5C4=O)O
InChI
InChI=1S/C22H14N2O4/c1-28-17-10-11(6-9-16(17)25)22-23-15-8-7-14-18(19(15)24-22)21(27)13-5-3-2-4-12(13)20(14)26/h2-10,25H,1H3,(H,23,24)
InChIKey
FJEOIDUPEMASKE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135908526
TTD ID
D0Q8SP

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.