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2-amino-N-hydroxy-4-methylsulfanylbutanamide;2,2,2-trifluoroacetic acid ID: ALA323640
Max Phase: Preclinical
Molecular Formula: C7H13F3N2O4S
Molecular Weight: 164.23
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CSCCC(N)C(=O)NO.O=C(O)C(F)(F)F
Standard InChI: InChI=1S/C5H12N2O2S.C2HF3O2/c1-10-3-2-4(6)5(8)7-9;3-2(4,5)1(6)7/h4,9H,2-3,6H2,1H3,(H,7,8);(H,6,7)
Standard InChI Key: YTPLJAVZYVBOIR-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Properties Molecular Weight: 164.23Molecular Weight (Monoisotopic): 164.0619AlogP: -0.43#Rotatable Bonds: 4Polar Surface Area: 75.35Molecular Species: NEUTRALHBA: 4HBD: 3#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 4#RO5 Violations (Lipinski): 0CX Acidic pKa: 8.90CX Basic pKa: 7.88CX LogP: -1.16CX LogD: -1.49Aromatic Rings: 0Heavy Atoms: 10QED Weighted: 0.39Np Likeness Score: -0.24
