Details of the Drug

General Information of Drug (ID: DMRPCL7)

Drug Name
2-(2-Hydroxyethyl)anthra[1,9-cd]pyrazol-6(2H)-one
Synonyms SCHEMBL11120339
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) 264.28
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H12N2O2
IUPAC Name
14-(2-hydroxyethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
Canonical SMILES
C1=CC=C2C(=C1)C3=NN(C4=CC=CC(=C43)C2=O)CCO
InChI
InChI=1S/C16H12N2O2/c19-9-8-18-13-7-3-6-12-14(13)15(17-18)10-4-1-2-5-11(10)16(12)20/h1-7,19H,8-9H2
InChIKey
IWTWHJYONHLOQB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46907248
TTD ID
D00FIE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase II (TOP2) TT0IHXV TOP2A_HUMAN ; TOP2B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis and biological evaluation of a novel series of anthrapyrazoles linked with netropsin-like oligopyrrole carboxamides as anticancer... Bioorg Med Chem. 2010 Jun 1;18(11):3974-84.