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]
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
PubChem CID
108040
ChEBI ID
CHEMBL1201881
CAS Number
103926-82-5
TTD ID
D0N7WR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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.