Details of the Drug

General Information of Drug (ID: DMET693)

Drug Name
2,7-Bis[3-(piperidino)propionamido]anthraquinone
Synonyms 2,7-Bis[3-(piperidino)propionamido]anthraquinone; CHEMBL89250; SCHEMBL4300594; OFUHVIUIKBRCMP-UHFFFAOYSA-N; BDBM50068321
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) 516.6
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C30H36N4O4
IUPAC Name
N-[9,10-dioxo-7-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-1-ylpropanamide
Canonical SMILES
C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=C(C=C4)NC(=O)CCN5CCCCC5
InChI
InChI=1S/C30H36N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)30(38)26-20-22(8-10-24(26)29(23)37)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,31,35)(H,32,36)
InChIKey
OFUHVIUIKBRCMP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9809446
TTD ID
D01BAK

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, human telomerase inhibition and anti-proliferative studies of a series of 2,7-bis-substituted amido-anthraquinone derivatives. Bioorg Med Chem. 2008 Jul 15;16(14):6976-86.