Details of the Drug

General Information of Drug (ID: DMZA06U)

Drug Name

TOPIXANTRONE HYDROCHLORIDE

Synonyms

Topixantrone hydrochloride; SCHEMBL1418986; Topixantrone hydrochloride < Prop INNM; BBR-3409 (dimaleate); 5-[2-(Dimethylamino)ethylamino]-2-[2-(2-hydroxyethylamino)ethyl]indazolo[4,3-gh]isoquinolin-6(2H)-one dihydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Gastric adenocarcinoma	2B72	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

467.4

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

9

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C21H28Cl2N6O2
IUPAC Name: 10-[2-(dimethylamino)ethylamino]-14-[2-(2-hydroxyethylamino)ethyl]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one;dihydrochloride
Canonical SMILES: CN(C)CCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO.Cl.Cl
InChI: InChI=1S/C21H26N6O2.2ClH/c1-26(2)10-8-24-16-3-4-17-19-18(16)21(29)14-5-6-23-13-15(14)20(19)25-27(17)11-7-22-9-12-28;;/h3-6,13,22,24,28H,7-12H2,1-2H3;2*1H
InChIKey: CQZQVNJGECUKMB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6918273
TTD ID: D06DWQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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 800015071)
2	Clinical pipeline report, company report or official report of CTI BioPharma.