| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985292
Max Phase: Preclinical
Molecular Formula: C18H14ClNO2S
Molecular Weight: 343.84
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CC(c1cccc(-c2ccccc2Cl)c1)c1nccs1
Standard InChI: InChI=1S/C18H14ClNO2S/c19-16-7-2-1-6-14(16)12-4-3-5-13(10-12)15(11-17(21)22)18-20-8-9-23-18/h1-10,15H,11H2,(H,21,22)
Standard InChI Key: IBHRFUKKTZYPQU-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: 343.84 | Molecular Weight (Monoisotopic): 343.0434 | AlogP: 5.07 | #Rotatable Bonds: 5 |
| Polar Surface Area: 50.19 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.58 | CX Basic pKa: 2.33 | CX LogP: 4.51 | CX LogD: 1.76 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.70 | Np Likeness Score: -0.66 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):