| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3938459
Max Phase: Preclinical
Molecular Formula: C24H28ClN3
Molecular Weight: 393.96
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCn1nc(-c2ccc(Cl)cc2)cc1C1CCN(CCc2ccccc2)CC1
Standard InChI: InChI=1S/C24H28ClN3/c1-2-28-24(18-23(26-28)20-8-10-22(25)11-9-20)21-13-16-27(17-14-21)15-12-19-6-4-3-5-7-19/h3-11,18,21H,2,12-17H2,1H3
Standard InChI Key: RGHSNRUDSYJWAC-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: 393.96 | Molecular Weight (Monoisotopic): 393.1972 | AlogP: 5.65 | #Rotatable Bonds: 6 |
| Polar Surface Area: 21.06 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.36 | CX LogP: 5.74 | CX LogD: 3.79 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.54 | Np Likeness Score: -1.47 |
References
| 1. (2016) Prolylcarboxypeptidase inhibitors, |
Source
Source(1):