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ID: ALA394409
Max Phase: Preclinical
Molecular Formula: C10H11NS2
Molecular Weight: 209.34
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: S=C1SCCN1Cc1ccccc1
Standard InChI: InChI=1S/C10H11NS2/c12-10-11(6-7-13-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
Standard InChI Key: QTKZZHBBSBSSHF-UHFFFAOYSA-N
Associated Targets(Human) 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: 209.34Molecular Weight (Monoisotopic): 209.0333AlogP: 2.52#Rotatable Bonds: 2Polar Surface Area: 3.24Molecular Species: HBA: 2HBD: 0#RO5 Violations: 0HBA (Lipinski): 1HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: CX LogP: 2.97CX LogD: 2.97Aromatic Rings: 1Heavy Atoms: 13QED Weighted: 0.69Np Likeness Score: -1.66
References 1. Alhamadsheh MM, Waters NC, Huddler DP, Kreishman-Deitrick M, Florova G, Reynolds KA.. (2007) Synthesis and biological evaluation of thiazolidine-2-one 1,1-dioxide as inhibitors of Escherichia coli beta-ketoacyl-ACP-synthase III (FabH)., 17 (4): [PMID:17189694 ] [10.1016/j.bmcl.2006.11.067 ] 2. PubChem BioAssay data set,
