| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3973570
Max Phase: Preclinical
Molecular Formula: C23H20FNO4
Molecular Weight: 393.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc(Oc2ccccc2F)cc1
Standard InChI: InChI=1S/C23H20FNO4/c1-2-25(15-16-7-9-18(10-8-16)23(27)28)22(26)17-11-13-19(14-12-17)29-21-6-4-3-5-20(21)24/h3-14H,2,15H2,1H3,(H,27,28)
Standard InChI Key: SFLFAQAYQIAVDW-UHFFFAOYSA-N
Associated Targets(Human)
Lysophosphatidic acid receptor 5 213 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: 393.41 | Molecular Weight (Monoisotopic): 393.1376 | AlogP: 4.98 | #Rotatable Bonds: 7 |
| Polar Surface Area: 66.84 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.07 | CX Basic pKa: | CX LogP: 4.65 | CX LogD: 1.53 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.61 | Np Likeness Score: -1.34 |
References
| 1. (2016) Compounds, |
Source
Source(1):