Details of the Drug

General Information of Drug (ID: DMDT5HZ)

Drug Name
Teloxantrone
Synonyms Moxantrazole; Teloxantrone hydrochloride; Teloxantrone hydrochloride hydrate; DuP-937; PD-113309
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 411.5
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C21H25N5O4
IUPAC Name
6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylimino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one
Canonical SMILES
CNCCN=C1C=CC2=C3C1=C(C4=C(C=CC(=O)C4=C3NN2CCNCCO)O)O
InChI
InChI=1S/C21H25N5O4/c1-22-6-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,22-23,25,27,29-30H,6-11H2,1H3
InChIKey
WOPAVGQTOMNFGS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
124644
CAS Number
91441-48-4
TTD ID
D0B7CZ

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 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000732)
2 Topoisomerase II inhibition and cytotoxicity of the anthrapyrazoles DuP 937 and DuP 941 (Losoxantrone) in the National Cancer Institute preclinical... J Natl Cancer Inst. 1994 Aug 17;86(16):1239-44.