| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3984402
Max Phase: Preclinical
Molecular Formula: C19H17ClN2O4
Molecular Weight: 372.81
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(Cl)c1-c1cccc(C(CC(=O)O)c2nnc(C)o2)c1
Standard InChI: InChI=1S/C19H17ClN2O4/c1-11-21-22-19(26-11)14(10-17(23)24)12-5-3-6-13(9-12)18-15(20)7-4-8-16(18)25-2/h3-9,14H,10H2,1-2H3,(H,23,24)
Standard InChI Key: LJPIFITZRKADSH-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: 372.81 | Molecular Weight (Monoisotopic): 372.0877 | AlogP: 4.31 | #Rotatable Bonds: 6 |
| Polar Surface Area: 85.45 | Molecular Species: ACID | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.37 | CX Basic pKa: | CX LogP: 2.80 | CX LogD: -0.12 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.69 | Np Likeness Score: -0.60 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):