| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4762090
Max Phase: Preclinical
Molecular Formula: C18H27NaO2
Molecular Weight: 276.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCc1cc(CCCCC)cc(CC(=O)[O-])c1.[Na+]
Standard InChI: InChI=1S/C18H28O2.Na/c1-3-5-7-9-15-11-16(10-8-6-4-2)13-17(12-15)14-18(19)20;/h11-13H,3-10,14H2,1-2H3,(H,19,20);/q;+1/p-1
Standard InChI Key: OHGWIXASWPCFMS-UHFFFAOYSA-M
Associated Targets(Human)
G-protein coupled receptor 84 1284 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 276.42 | Molecular Weight (Monoisotopic): 276.2089 | AlogP: 4.78 | #Rotatable Bonds: 10 |
| 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: 4.72 | CX Basic pKa: | CX LogP: 6.19 | CX LogD: 3.57 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.62 | Np Likeness Score: 0.28 |
References
| 1. Chen LH,Zhang Q,Xie X,Nan FJ. (2020) Modulation of the G-Protein-Coupled Receptor 84 (GPR84) by Agonists and Antagonists., 63 (24.0): [PMID:33267584] [10.1021/acs.jmedchem.0c01378] |
Source
Source(1):