| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3960713
Max Phase: Preclinical
Molecular Formula: C21H41N3O2
Molecular Weight: 367.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCNC(=O)CCCNC(=O)[C@@H]1CCCN1
Standard InChI: InChI=1S/C21H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(25)15-13-18-24-21(26)19-14-12-17-22-19/h19,22H,2-18H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1
Standard InChI Key: MNMKCRHUEZEZAD-IBGZPJMESA-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: 367.58 | Molecular Weight (Monoisotopic): 367.3199 | AlogP: 3.67 | #Rotatable Bonds: 16 |
| Polar Surface Area: 70.23 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.81 | CX LogP: 3.62 | CX LogD: 1.27 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.36 | Np Likeness Score: -0.31 |
References
| 1. (2015) Selective inhibitors of prolylcarboxypeptidase, |
Source
Source(1):