| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3649507
Max Phase: Preclinical
Molecular Formula: C16H27N5O2
Molecular Weight: 321.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cncn1CCCCN/C(=C\[N+](=O)[O-])NC1CCCCC1
Standard InChI: InChI=1S/C16H27N5O2/c1-14-11-17-13-20(14)10-6-5-9-18-16(12-21(22)23)19-15-7-3-2-4-8-15/h11-13,15,18-19H,2-10H2,1H3/b16-12+
Standard InChI Key: KJDYILRPNDWKLG-FOWTUZBSSA-N
Associated Targets(Human)
Glutaminyl-peptide cyclotransferase-like protein 114 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: 321.43 | Molecular Weight (Monoisotopic): 321.2165 | AlogP: 2.56 | #Rotatable Bonds: 9 |
| Polar Surface Area: 85.02 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.08 | CX LogP: 2.30 | CX LogD: 2.18 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.41 | Np Likeness Score: -1.04 |
References
| 1. (2014) Inhibitors of glutaminyl cyclase, |
Source
Source(1):