Details of the Drug

General Information of Drug (ID: DMCD6G1)

Drug Name
SMT-C1100
Synonyms
BMN-195; Utrophin modulators (Duchenne muscular dystrophy); VOXC-1100; Utrophin modulators (Duchennemuscular dystrophy), VASTox; Utorphin upregulators (Duchenne muscular dystrophy), VASTox/University of Oxford; Utrophin modulators (Duchenne muscular dystrophy), Summit/BioMarin; Utropine inducer (Duchenne muscular dystrophy), Summit/BioMarin
Indication
Disease Entry ICD 11 Status REF
Duchenne dystrophy 8C70 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 337.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H15NO3S
IUPAC Name
5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole
Canonical SMILES
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
InChIKey
KSGCNXAZROJSNW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25109292
CAS Number
945531-77-1
UNII
645R07LF0D
DrugBank ID
DB12888
TTD ID
D0Y7YD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Utrophin (UTRN) TTNO1VA UTRO_HUMAN Regulator (upregulator) [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Duchenne dystrophy
ICD Disease Classification 8C70
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Utrophin (UTRN) DTT UTRN 2.98E-03 0.72 1.68
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Safety, tolerability, and pharmacokinetics of SMT C1100, a 2-arylbenzoxazole utrophin modulator, following single- and multiple-dose administration to healthy male adult volunteers. J Clin Pharmacol.2015 Jun;55(6):698-707.