Details of the Drug

General Information of Drug (ID: DMBIQL2)

Drug Name

BISNAFIDE MESILATE

Synonyms

DMP-840; Bisnafide mesilate; Bisnafide mesylate; (R,R)-2,2'-(Ethane-1,2-diyl)bis[imino(1-methylethane-2,1-diyl)]bis(5-nitro-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione) dimethanesulfonate; (R,R)-2,2'-(Ethylenediimino)bis(1-methyl-2,1-ethanediyl)bis(5-nitro-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione) dimethanesulfonate

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

816.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C34H36N6O14S2
IUPAC Name: methanesulfonic acid;5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione
Canonical SMILES: C[C@H](CNCCNC[C@@H](C)N1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-].CS(=O)(=O)O.CS(=O)(=O)O
InChI: InChI=1S/C32H28N6O8.2CH4O3S/c1-17(35-29(39)23-7-3-5-19-11-21(37(43)44)13-25(27(19)23)31(35)41)15-33-9-10-34-16-18(2)36-30(40)24-8-4-6-20-12-22(38(45)46)14-26(28(20)24)32(36)42;2*1-5(2,3)4/h3-8,11-14,17-18,33-34H,9-10,15-16H2,1-2H3;2*1H3,(H,2,3,4)/t17-,18-;;/m1../s1
InChIKey: KPQJSSLKKBKWEW-RKDOVGOJSA-N

Cross-matching ID

PubChem CID: 60916
CAS Number: 145124-30-7
TTD ID: D0M0VN

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 800003889)
2	DNA sequence recognition by bispyrazinonaphthalimides antitumor agents. Biochemistry. 2003 Oct 14;42(40):11751-61.