| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986767
Max Phase: Preclinical
Molecular Formula: C18H16ClN3O4
Molecular Weight: 373.80
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(Cl)c1-c1cncc(C(CC(=O)O)c2nnc(C)o2)c1
Standard InChI: InChI=1S/C18H16ClN3O4/c1-10-21-22-18(26-10)13(7-16(23)24)11-6-12(9-20-8-11)17-14(19)4-3-5-15(17)25-2/h3-6,8-9,13H,7H2,1-2H3,(H,23,24)
Standard InChI Key: UPFAPNZDOGVPQY-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: 373.80 | Molecular Weight (Monoisotopic): 373.0829 | AlogP: 3.71 | #Rotatable Bonds: 6 |
| Polar Surface Area: 98.34 | Molecular Species: ACID | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.87 | CX Basic pKa: 4.48 | CX LogP: 1.02 | CX LogD: -1.47 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.70 | Np Likeness Score: -0.84 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):