| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3649513
Max Phase: Preclinical
Molecular Formula: C19H21N5O2
Molecular Weight: 351.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(CCCN/C(=C\[N+](=O)[O-])Nc2cccc3ccccc23)cn1
Standard InChI: InChI=1S/C19H21N5O2/c1-15-12-23(14-21-15)11-5-10-20-19(13-24(25)26)22-18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9,12-14,20,22H,5,10-11H2,1H3/b19-13+
Standard InChI Key: GZQGQPXNGNLMNL-CPNJWEJPSA-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: 351.41 | Molecular Weight (Monoisotopic): 351.1695 | AlogP: 3.51 | #Rotatable Bonds: 8 |
| 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: 12.59 | CX Basic pKa: 6.39 | CX LogP: 2.54 | CX LogD: 2.50 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.37 | Np Likeness Score: -1.15 |
References
| 1. (2014) Inhibitors of glutaminyl cyclase, |
Source
Source(1):