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.
US8530490, 54 ID: ALA3664435
Chembl Id: CHEMBL3664435
PubChem CID: 67021859
Max Phase: Preclinical
Molecular Formula: C18H21F4N3O6S
Molecular Weight: 483.44
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC(F)(F)F)c1
Standard InChI: InChI=1S/C18H21F4N3O6S/c1-12(13-3-4-14(19)15(9-13)31-10-18(20,21)22)24-32(28,29)8-2-7-30-11-25-6-5-16(26)23-17(25)27/h3-6,9,12,24H,2,7-8,10-11H2,1H3,(H,23,26,27)/t12-/m1/s1
Standard InChI Key: DTMAEUDOJBCJEZ-GFCCVEGCSA-N
Associated Targets(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: 483.44Molecular Weight (Monoisotopic): 483.1087AlogP: 1.66#Rotatable Bonds: 11Polar Surface Area: 119.49Molecular Species: NEUTRALHBA: 7HBD: 2#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.69CX Basic pKa: ┄CX LogP: 1.24CX LogD: 1.24Aromatic Rings: 2Heavy Atoms: 32QED Weighted: 0.37Np Likeness Score: -1.49
References 1. (2013) Uracil compound or salt thereof having human deoxyuridine triphosphatase inhibitory activity, 2. (2014) Anti-tumor effect potentiator,