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-1-4-[(2-[2-(4-fluoroanilino)-3-pyridyl]carbonylhydrazino)sulfonyl]phenyl-acetamide ID: ALA228209
Chembl Id: CHEMBL228209
PubChem CID: 44422612
Max Phase: Preclinical
Molecular Formula: C20H18FN5O4S
Molecular Weight: 443.46
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccnc2Nc2ccc(F)cc2)cc1
Standard InChI: InChI=1S/C20H18FN5O4S/c1-13(27)23-15-8-10-17(11-9-15)31(29,30)26-25-20(28)18-3-2-12-22-19(18)24-16-6-4-14(21)5-7-16/h2-12,26H,1H3,(H,22,24)(H,23,27)(H,25,28)
Standard InChI Key: GQLFHJMGTCHTLN-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: 443.46Molecular Weight (Monoisotopic): 443.1064AlogP: 2.55#Rotatable Bonds: 7Polar Surface Area: 129.29Molecular Species: ACIDHBA: 6HBD: 4#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 5.42CX Basic pKa: 4.00CX LogP: 3.22CX LogD: 3.11Aromatic Rings: 3Heavy Atoms: 31QED Weighted: 0.42Np Likeness Score: -2.00
References 1. Kamal A, Khan MN, Srinivasa Reddy K, Rohini K.. (2007) Synthesis of a new class of 2-anilino substituted nicotinyl arylsulfonylhydrazides as potential anticancer and antibacterial agents., 15 (2): [PMID:17097292 ] [10.1016/j.bmc.2006.10.027 ]