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(R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-2-piperidin-4-yl-acetamide ID: ALA354635
Chembl Id: CHEMBL354635
PubChem CID: 44383149
Max Phase: Preclinical
Molecular Formula: C21H27N3O5S
Molecular Weight: 433.53
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C(=O)NO)C2CCNCC2)cc1
Standard InChI: InChI=1S/C21H27N3O5S/c1-29-18-7-9-19(10-8-18)30(27,28)24(15-16-5-3-2-4-6-16)20(21(25)23-26)17-11-13-22-14-12-17/h2-10,17,20,22,26H,11-15H2,1H3,(H,23,25)/t20-/m1/s1
Standard InChI Key: VCYINWSCVBPDFN-HXUWFJFHSA-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: 433.53Molecular Weight (Monoisotopic): 433.1671AlogP: 1.76#Rotatable Bonds: 8Polar Surface Area: 107.97Molecular Species: BASEHBA: 6HBD: 3#RO5 Violations: ┄HBA (Lipinski): 8HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 8.67CX Basic pKa: 9.79CX LogP: 0.51CX LogD: -0.54Aromatic Rings: 2Heavy Atoms: 30QED Weighted: 0.43Np Likeness Score: -0.80
References 1. Jeng AY, Chou M, Parker DT.. (1998) Sulfonamide-based hydroxamic acids as potent inhibitors of mouse macrophage metalloelastase., 8 (8): [PMID:9871508 ] [10.1016/s0960-894x(98)00142-5 ]