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ID: ALA1482913
Max Phase: Preclinical
Molecular Formula: C26H33N3O4S
Molecular Weight: 483.63
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
Standard InChI: InChI=1S/C26H33N3O4S/c1-19-8-4-5-9-23(19)26(31)28-16-12-21(13-17-28)25(30)27-22-11-10-20(2)24(18-22)34(32,33)29-14-6-3-7-15-29/h4-5,8-11,18,21H,3,6-7,12-17H2,1-2H3,(H,27,30)
Standard InChI Key: ANYLDPWDZZHAPV-UHFFFAOYSA-N
Associated Targets(Human) 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
Properties Molecular Weight: 483.63Molecular Weight (Monoisotopic): 483.2192AlogP: 3.97#Rotatable Bonds: 5Polar Surface Area: 86.79Molecular Species: NEUTRALHBA: 4HBD: 1#RO5 Violations: 0HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 13.78CX Basic pKa: CX LogP: 3.71CX LogD: 3.71Aromatic Rings: 2Heavy Atoms: 34QED Weighted: 0.70Np Likeness Score: -2.13
References 1. PubChem BioAssay data set, 2. PubChem BioAssay data set,
