| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986611
Max Phase: Preclinical
Molecular Formula: C21H20FNO4
Molecular Weight: 369.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1ccc(C)cc1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1
Standard InChI: InChI=1S/C21H20FNO4/c1-3-26-19-5-4-13(2)8-17(19)14-9-15(11-16(22)10-14)18(12-20(24)25)21-23-6-7-27-21/h4-11,18H,3,12H2,1-2H3,(H,24,25)
Standard InChI Key: CWYYSLJYJBFQKG-UHFFFAOYSA-N
Associated Targets(Human)
Lysosomal protective protein 919 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: 369.39 | Molecular Weight (Monoisotopic): 369.1376 | AlogP: 4.79 | #Rotatable Bonds: 7 |
| Polar Surface Area: 72.56 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.31 | CX Basic pKa: 0.05 | CX LogP: 4.04 | CX LogD: 1.08 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.65 | Np Likeness Score: -0.62 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):