| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3950828
Max Phase: Preclinical
Molecular Formula: C4H2K2O5
Molecular Weight: 132.07
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C([O-])CC(=O)C(=O)[O-].[K+].[K+]
Standard InChI: InChI=1S/C4H4O5.2K/c5-2(4(8)9)1-3(6)7;;/h1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
Standard InChI Key: VRQLVIKCJMDULZ-UHFFFAOYSA-L
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: 132.07 | Molecular Weight (Monoisotopic): 132.0059 | AlogP: -0.89 | #Rotatable Bonds: 3 |
| Polar Surface Area: 91.67 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.41 | CX Basic pKa: | CX LogP: -0.04 | CX LogD: -6.92 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.38 | Np Likeness Score: 1.09 |
References
| 1. (2001) Identification of modulators of GPR41 or GPR42 activity, |
Source
Source(1):