The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
2-(Benzylsulfonamido)-1,3,4-thiadiazole ID: ALA454684
Chembl Id: CHEMBL454684
PubChem CID: 743642
Max Phase: Preclinical
Molecular Formula: C10H10N2O2S2
Molecular Weight: 254.34
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=S(=O)(Cc1ccccc1)Nc1nccs1
Standard InChI: InChI=1S/C10H10N2O2S2/c13-16(14,12-10-11-6-7-15-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,11,12)
Standard InChI Key: ARJMJQRFEJVSTC-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
Calculated Properties Molecular Weight: 254.34Molecular Weight (Monoisotopic): 254.0184AlogP: 2.08#Rotatable Bonds: 4Polar Surface Area: 59.06Molecular Species: ACIDHBA: 4HBD: 1#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 6.35CX Basic pKa: 0.62CX LogP: 1.57CX LogD: 0.84Aromatic Rings: 2Heavy Atoms: 16QED Weighted: 0.91Np Likeness Score: -2.17
References 1. Huber VJ, Tsujita M, Nakada T.. (2009) Identification of aquaporin 4 inhibitors using in vitro and in silico methods., 17 (1): [PMID:18182301 ] [10.1016/j.bmc.2007.12.040 ] 2. Proj M, Hrast M, Knez D, Bozovičar K, Grabrijan K, Meden A, Gobec S, Frlan R.. (2022) Fragment-Sized Thiazoles in Fragment-Based Drug Discovery Campaigns: Friend or Foe?, 13 (12.0): [PMID:36518695 ] [10.1021/acsmedchemlett.2c00429 ]