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5,7-dihydroxy-2-phenyl-4H-chromene-4-selenone
ID: ALA3578023
Chembl Id: CHEMBL3578023
PubChem CID: 137090906
Max Phase: Preclinical
Molecular Formula: C15H10O3Se
Molecular Weight: 317.20
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: Oc1cc(O)c2c(=[Se])cc(-c3ccccc3)oc2c1
Standard InChI: InChI=1S/C15H10O3Se/c16-10-6-11(17)15-13(7-10)18-12(8-14(15)19)9-4-2-1-3-5-9/h1-8,16-17H
Standard InChI Key: GXSVPARMGBJHNZ-UHFFFAOYSA-N
Associated Targets(Human)
Molecule Features
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
Drug Indications
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
Molecular Weight: 317.20 | Molecular Weight (Monoisotopic): 317.9795 | AlogP: ┄ | #Rotatable Bonds: ┄ |
Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
#RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
References
1. Martins IL, Charneira C, Gandin V, Ferreira da Silva JL, Justino GC, Telo JP, Vieira AJ, Marzano C, Antunes AM.. (2015) Selenium-containing chrysin and quercetin derivatives: attractive scaffolds for cancer therapy., 58 (10): [PMID:25906385] [10.1021/acs.jmedchem.5b00230] |