| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986087
Max Phase: Preclinical
Molecular Formula: C20H21N3O5
Molecular Weight: 383.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(C)cc(OC)c1-c1cncc(C(CC(=O)O)c2nnc(C)o2)c1
Standard InChI: InChI=1S/C20H21N3O5/c1-11-5-16(26-3)19(17(6-11)27-4)14-7-13(9-21-10-14)15(8-18(24)25)20-23-22-12(2)28-20/h5-7,9-10,15H,8H2,1-4H3,(H,24,25)
Standard InChI Key: KUUYGXCCHWNUHC-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: 383.40 | Molecular Weight (Monoisotopic): 383.1481 | AlogP: 3.37 | #Rotatable Bonds: 7 |
| Polar Surface Area: 107.57 | Molecular Species: ACID | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.74 | CX Basic pKa: 4.38 | CX LogP: 0.70 | CX LogD: -1.84 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.66 | Np Likeness Score: -0.45 |
References
| 1. (2015) Biaryl-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):