Details of the Drug

General Information of Drug (ID: DMC1A42)

Drug Name
SUN-11031
Synonyms 6,6,6-trifluoromethionine; AC1L5KZ2; SCHEMBL245985; CTK1D7491; NSC73030; NSC-73030; 2-Amino-4-(trifluoromethylthio)butyric acid; 2-amino-4-(trifluoromethylsulfanyl)butanoic acid
Indication
Disease Entry ICD 11 Status REF
Anorexia nervosa cachexia 6B80 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 203.19
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C5H8F3NO2S
IUPAC Name
2-amino-4-(trifluoromethylsulfanyl)butanoic acid
Canonical SMILES
C(CSC(F)(F)F)C(C(=O)O)N
InChI
InChI=1S/C5H8F3NO2S/c6-5(7,8)12-2-1-3(9)4(10)11/h3H,1-2,9H2,(H,10,11)
InChIKey
YLJLTSVBCXYTQK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
251951
TTD ID
D0G2VT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Growth hormone secretagogue receptor 1 (GHSR) TTWDC17 GHSR_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anorexia nervosa cachexia
ICD Disease Classification 6B80
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Growth hormone secretagogue receptor 1 (GHSR) DTT GHSR 4.56E-01 -0.14 -0.74
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging drugs for eating disorder treatment. Expert Opin Emerg Drugs. 2006 May;11(2):315-36.