Details of the Drug

General Information of Drug (ID: DMX45WE)

Drug Name
2-Heptyl-1(3)H-anthra[1,2-d]imidazole-6,11-dione
Synonyms CHEMBL596063
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) 346.4
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C22H22N2O2
IUPAC Name
2-heptyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione
Canonical SMILES
CCCCCCCC1=NC2=C(N1)C=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H22N2O2/c1-2-3-4-5-6-11-18-23-17-13-12-16-19(20(17)24-18)22(26)15-10-8-7-9-14(15)21(16)25/h7-10,12-13H,2-6,11H2,1H3,(H,23,24)
InChIKey
VJUQZYULXGTXCN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44251211
TTD ID
D0JR3Y

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.