| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272316
Max Phase: Preclinical
Molecular Formula: C24H28O3
Molecular Weight: 364.49
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C2=C(COc3ccc(CCCC(=O)O)cc3)CCCC2)cc1
Standard InChI: InChI=1S/C24H28O3/c1-18-9-13-20(14-10-18)23-7-3-2-6-21(23)17-27-22-15-11-19(12-16-22)5-4-8-24(25)26/h9-16H,2-8,17H2,1H3,(H,25,26)
Standard InChI Key: DQIJRPXJARBILB-UHFFFAOYSA-N
Associated Targets(Human)
G-protein coupled receptor 120 2999 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 364.49 | Molecular Weight (Monoisotopic): 364.2038 | AlogP: 5.81 | #Rotatable Bonds: 8 |
| Polar Surface Area: 46.53 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.15 | CX Basic pKa: | CX LogP: 6.16 | CX LogD: 3.09 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.64 | Np Likeness Score: 0.04 |
References
| 1. Carullo G, Mazzotta S, Vega-Holm M, Iglesias-Guerra F, Vega-Pérez JM, Aiello F, Brizzi A.. (2021) GPR120/FFAR4 Pharmacology: Focus on Agonists in Type 2 Diabetes Mellitus Drug Discovery., 64 (8.0): [PMID:33843223] [10.1021/acs.jmedchem.0c01002] |
Source
Source(1):