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.
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[[3-(4-nitrophenyl)prop-2-enoyl]amino]propanamide ID: ALA4580265
Chembl Id: CHEMBL4580265
PubChem CID: 46931034
Max Phase: Preclinical
Molecular Formula: C17H21N3O6S
Molecular Weight: 395.44
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: CN(C(=O)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCS(=O)(=O)C1
Standard InChI: InChI=1S/C17H21N3O6S/c1-19(15-9-11-27(25,26)12-15)17(22)8-10-18-16(21)7-4-13-2-5-14(6-3-13)20(23)24/h2-7,15H,8-12H2,1H3,(H,18,21)/b7-4+
Standard InChI Key: MZJJLDAJLAPFKB-QPJJXVBHSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 395.44Molecular Weight (Monoisotopic): 395.1151AlogP: 0.76#Rotatable Bonds: 7Polar Surface Area: 126.69Molecular Species: NEUTRALHBA: 6HBD: 1#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: -0.37CX LogD: -0.37Aromatic Rings: 1Heavy Atoms: 27QED Weighted: 0.41Np Likeness Score: -1.71
References 1. (2015) Klf5 modulators,