| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986754
Max Phase: Preclinical
Molecular Formula: C2HNaO3
Molecular Weight: 74.03
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=CC(=O)[O-].[Na+]
Standard InChI: InChI=1S/C2H2O3.Na/c3-1-2(4)5;/h1H,(H,4,5);/q;+1/p-1
Standard InChI Key: SOEVVANXSDKPIY-UHFFFAOYSA-M
Associated Targets(non-human)
Free fatty acid receptor 3 73 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 74.03 | Molecular Weight (Monoisotopic): 74.0004 | AlogP: -0.73 | #Rotatable Bonds: 1 |
| Polar Surface Area: 54.37 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.61 | CX Basic pKa: | CX LogP: -0.13 | CX LogD: -3.64 |
| Aromatic Rings: 0 | Heavy Atoms: 5 | QED Weighted: 0.33 | Np Likeness Score: 1.11 |
References
| 1. (2001) Identification of modulators of GPR41 or GPR42 activity, |
Source
Source(1):