| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3976324
Max Phase: Preclinical
Molecular Formula: C25H23FN6
Molecular Weight: 426.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(-c2nc(C3C4CN(CCc5ccccc5)CC43)n(-c3ncccn3)n2)cc1
Standard InChI: InChI=1S/C25H23FN6/c26-19-9-7-18(8-10-19)23-29-24(32(30-23)25-27-12-4-13-28-25)22-20-15-31(16-21(20)22)14-11-17-5-2-1-3-6-17/h1-10,12-13,20-22H,11,14-16H2
Standard InChI Key: LEIUOWQFNJEWAI-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: 426.50 | Molecular Weight (Monoisotopic): 426.1968 | AlogP: 3.75 | #Rotatable Bonds: 6 |
| Polar Surface Area: 59.73 | Molecular Species: BASE | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.38 | CX LogP: 4.56 | CX LogD: 2.59 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.47 | Np Likeness Score: -1.35 |
References
| 1. (2016) Prolylcarboxypeptidase inhibitors, |
Source
Source(1):