Details of the Drug

General Information of Drug (ID: DMRBYH8)

Drug Name

Sepimostat mesylate

Synonyms

Renofuthan; FUT-187; TO-187

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

469.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C22H23N5O5S
IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate;methanesulfonic acid
Canonical SMILES: CS(=O)(=O)O.C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI: InChI=1S/C21H19N5O2.CH4O3S/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21;1-5(2,3)4/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26);1H3,(H,2,3,4)
InChIKey: NAMGRNXMZHEICS-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serine protease unspecific (SP)	TTEMV5X	NOUNIPROTAC	Modulator	[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 800002018)
2	Effect of FUT-187, oral serine protease inhibitor, on inflammation in the gastric remnant. Gan To Kagaku Ryoho. 1996 Dec;23(14):1971-9.