| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3938460
Max Phase: Preclinical
Molecular Formula: C9H17KO2
Molecular Weight: 158.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCC(=O)[O-].[K+]
Standard InChI: InChI=1S/C9H18O2.K/c1-2-3-4-5-6-7-8-9(10)11;/h2-8H2,1H3,(H,10,11);/q;+1/p-1
Standard InChI Key: WQEDQSDEIXNCCI-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: 158.24 | Molecular Weight (Monoisotopic): 158.1307 | AlogP: 2.82 | #Rotatable Bonds: 7 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.23 | CX Basic pKa: | CX LogP: 3.14 | CX LogD: 0.99 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.58 | Np Likeness Score: 0.63 |
References
| 1. (2001) Identification of modulators of GPR41 or GPR42 activity, |
Source
Source(1):