| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5285896
Max Phase: Preclinical
Molecular Formula: C27H32O3
Molecular Weight: 404.55
Associated Items:
Representations
Canonical SMILES: O=C(O)CCCc1ccc(OCC2=C(c3ccc4c(c3)CCCC4)CCCC2)cc1
Standard InChI: InChI=1S/C27H32O3/c28-27(29)11-5-6-20-12-16-25(17-13-20)30-19-24-9-3-4-10-26(24)23-15-14-21-7-1-2-8-22(21)18-23/h12-18H,1-11,19H2,(H,28,29)
Standard InChI Key: RSFYJPCTHYAWGQ-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: 404.55 | Molecular Weight (Monoisotopic): 404.2351 | AlogP: 6.38 | #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: 7.10 | CX LogD: 4.03 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.56 | Np Likeness Score: 0.10 |
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):