| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3979970
Max Phase: Preclinical
Molecular Formula: C16H32N2O
Molecular Weight: 268.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCNC(=O)C1CCN1
Standard InChI: InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-10-11-13-18-16(19)15-12-14-17-15/h15,17H,2-14H2,1H3,(H,18,19)
Standard InChI Key: UMFGYANWTIREMI-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: 268.44 | Molecular Weight (Monoisotopic): 268.2515 | AlogP: 3.39 | #Rotatable Bonds: 12 |
| Polar Surface Area: 41.13 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.12 | CX LogP: 3.68 | CX LogD: 1.97 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.53 | Np Likeness Score: -0.10 |
References
| 1. (2015) Selective inhibitors of prolylcarboxypeptidase, |
Source
Source(1):