Details of the Drug

General Information of Drug (ID: DMR569L)

Drug Name

BBR-3438

Synonyms

Nortopixantrone; UNII-PH2639TAB4; BBR-3438; PH2639TAB4; Nortopixantrone [INN:BAN]; AC1MI4ZO; CHEMBL150303; SCHEMBL7804438

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 (mw)

380.4

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C20H24N6O2
IUPAC Name: 14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylamino]-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
Canonical SMILES: CNCCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO
InChI: InChI=1S/C20H24N6O2/c1-21-6-7-24-15-2-3-16-18-17(15)20(28)13-4-5-23-12-14(13)19(18)25-26(16)10-8-22-9-11-27/h2-5,12,21-22,24,27H,6-11H2,1H3
InChIKey: PMGQHDIXCJMHRO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

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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 800007244)
2	A novel 9-aza-anthrapyrazole effective against human prostatic carcinoma xenografts. Oncology. 2001;61(3):234-42.