| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3919329
Max Phase: Preclinical
Molecular Formula: C26H26ClN5
Molecular Weight: 443.98
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1
Standard InChI: InChI=1S/C26H26ClN5/c27-23-9-7-21(8-10-23)24-19-25(32(30-24)26-28-14-4-15-29-26)22-12-17-31(18-13-22)16-11-20-5-2-1-3-6-20/h1-10,14-15,19,22H,11-13,16-18H2
Standard InChI Key: SVHYVLJAAMPZJM-UHFFFAOYSA-N
Associated Targets(Human)
Lysosomal Pro-X carboxypeptidase 567 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: 443.98 | Molecular Weight (Monoisotopic): 443.1877 | AlogP: 5.40 | #Rotatable Bonds: 6 |
| Polar Surface Area: 46.84 | Molecular Species: BASE | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.41 | CX LogP: 5.79 | CX LogD: 3.80 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.40 | Np Likeness Score: -1.48 |
References
| 1. (2016) Prolylcarboxypeptidase inhibitors, |
Source
Source(1):