| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286838
Max Phase: Preclinical
Molecular Formula: C20H14N2O3S
Molecular Weight: 362.41
Associated Items:
Representations
Canonical SMILES: C#Cc1cc(Oc2cccnc2)cc(N2Cc3ccccc3S2(=O)=O)c1
Standard InChI: InChI=1S/C20H14N2O3S/c1-2-15-10-17(12-19(11-15)25-18-7-5-9-21-13-18)22-14-16-6-3-4-8-20(16)26(22,23)24/h1,3-13H,14H2
Standard InChI Key: XIOGALHZYZVCEI-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: 362.41 | Molecular Weight (Monoisotopic): 362.0725 | AlogP: 3.56 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.50 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.39 | CX Basic pKa: 4.61 | CX LogP: 2.87 | CX LogD: 2.87 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.67 | Np Likeness Score: -1.41 |
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):