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.
ID: ALA1530217
Max Phase: Preclinical
Molecular Formula: C22H15NO6
Molecular Weight: 389.36
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccco3)oc12
Standard InChI: InChI=1S/C22H15NO6/c1-12-4-2-5-14-19(24)18(13-7-8-15-17(10-13)28-11-27-15)22(29-20(12)14)23-21(25)16-6-3-9-26-16/h2-10H,11H2,1H3,(H,23,25)
Standard InChI Key: VUBLYIOCWZPNRJ-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: 389.36Molecular Weight (Monoisotopic): 389.0899AlogP: 4.34#Rotatable Bonds: 3Polar Surface Area: 90.91Molecular Species: NEUTRALHBA: 6HBD: 1#RO5 Violations: 0HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 11.25CX Basic pKa: CX LogP: 3.71CX LogD: 3.71Aromatic Rings: 4Heavy Atoms: 29QED Weighted: 0.56Np Likeness Score: -0.73
References 1. PubChem BioAssay data set,
