| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985694
Max Phase: Preclinical
Molecular Formula: C19H15ClFNO4
Molecular Weight: 375.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(Cl)c1-c1cc(F)cc(C(CC(=O)O)c2ncco2)c1
Standard InChI: InChI=1S/C19H15ClFNO4/c1-25-16-4-2-3-15(20)18(16)12-7-11(8-13(21)9-12)14(10-17(23)24)19-22-5-6-26-19/h2-9,14H,10H2,1H3,(H,23,24)
Standard InChI Key: QXXUUDRMJBMZNT-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: 375.78 | Molecular Weight (Monoisotopic): 375.0674 | AlogP: 4.75 | #Rotatable Bonds: 6 |
| 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: 4.29 | CX Basic pKa: 0.05 | CX LogP: 3.78 | CX LogD: 0.81 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.67 | Np Likeness Score: -0.49 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):