| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985175
Max Phase: Preclinical
Molecular Formula: C23H23ClN2O5
Molecular Weight: 442.90
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(c1-c1cc(Cl)cc(C(CC(=O)O)c3nnc(C)o3)c1)OC(C)(C)C2
Standard InChI: InChI=1S/C23H23ClN2O5/c1-12-25-26-22(30-12)17(10-19(27)28)14-7-15(9-16(24)8-14)20-18(29-4)6-5-13-11-23(2,3)31-21(13)20/h5-9,17H,10-11H2,1-4H3,(H,27,28)
Standard InChI Key: FCWHIBPZBSSULK-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: 442.90 | Molecular Weight (Monoisotopic): 442.1295 | AlogP: 5.03 | #Rotatable Bonds: 6 |
| Polar Surface Area: 94.68 | Molecular Species: ACID | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.17 | CX Basic pKa: | CX LogP: 3.38 | CX LogD: 0.32 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.57 | Np Likeness Score: -0.21 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):