ID: ALA4794389
Chembl Id: CHEMBL4794389
PubChem CID: 162673941
Max Phase: Preclinical
Molecular Formula: C9H13O4PSe
Molecular Weight: 295.13
Molecule Type: Unknown
Associated Items:
Canonical SMILES: COc1ccc([Se]P(=O)(OC)OC)cc1
Standard InChI: InChI=1S/C9H13O4PSe/c1-11-8-4-6-9(7-5-8)15-14(10,12-2)13-3/h4-7H,1-3H3
Standard InChI Key: AQVSDMBJFJYVSY-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 295.13 | Molecular Weight (Monoisotopic): 295.9717 | 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: ┄ |
| 1. Mailahn DH,Iarocz LEB,Nobre PC,Perin G,Sinott A,Pesarico AP,Birmann PT,Savegnago L,Silva MS. (2021) A greener protocol for the synthesis of phosphorochalcogenoates: Antioxidant and free radical scavenging activities., 213 [PMID:33272781] [10.1016/j.ejmech.2020.113052] |
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