| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3687925
Max Phase: Preclinical
Molecular Formula: C25H25ClN4O3
Molecular Weight: 464.95
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CC(NC(=O)c1cc(-c2ccccc2)nc(N2CCCCC2)n1)c1ccccc1Cl
Standard InChI: InChI=1S/C25H25ClN4O3/c26-19-12-6-5-11-18(19)21(16-23(31)32)27-24(33)22-15-20(17-9-3-1-4-10-17)28-25(29-22)30-13-7-2-8-14-30/h1,3-6,9-12,15,21H,2,7-8,13-14,16H2,(H,27,33)(H,31,32)
Standard InChI Key: DRYMHVXGUCGUDU-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: 464.95 | Molecular Weight (Monoisotopic): 464.1615 | AlogP: 4.73 | #Rotatable Bonds: 7 |
| Polar Surface Area: 95.42 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.79 | CX Basic pKa: 2.44 | CX LogP: 5.10 | CX LogD: 2.00 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.52 | Np Likeness Score: -1.23 |
References
| 1. (2015) Substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals, |
Source
Source(1):