| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3976680
Max Phase: Preclinical
Molecular Formula: C26H24FNO4
Molecular Weight: 433.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(CN(CC2CCC2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1
Standard InChI: InChI=1S/C26H24FNO4/c27-23-6-1-2-7-24(23)32-22-14-12-20(13-15-22)25(29)28(16-18-4-3-5-18)17-19-8-10-21(11-9-19)26(30)31/h1-2,6-15,18H,3-5,16-17H2,(H,30,31)
Standard InChI Key: JVVMHUKOPHTRQV-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: 433.48 | Molecular Weight (Monoisotopic): 433.1689 | AlogP: 5.76 | #Rotatable Bonds: 8 |
| Polar Surface Area: 66.84 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.07 | CX Basic pKa: | CX LogP: 5.52 | CX LogD: 2.40 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.49 | Np Likeness Score: -1.18 |
References
| 1. (2016) Compounds, |
Source
Source(1):