ID: ALA3335714
Chembl Id: CHEMBL3335714
PubChem CID: 15579745
Max Phase: Preclinical
Molecular Formula: C6H6OSe
Molecular Weight: 173.07
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O[Se]c1ccccc1
Standard InChI: InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H
Standard InChI Key: KUVIBICSCQYQOE-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: Small molecule | 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: 173.07 | Molecular Weight (Monoisotopic): 173.9584 | 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. Rydzik AM, Brem J, Struwe WB, Kochan GT, Benesch JL, Schofield CJ.. (2014) Ejection of structural zinc leads to inhibition of γ-butyrobetaine hydroxylase., 24 (21): [PMID:25266780] [10.1016/j.bmcl.2014.09.035] |
Source(1):
