| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3963868
Max Phase: Preclinical
Molecular Formula: C15H10ClN5O
Molecular Weight: 311.73
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(Nc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1
Standard InChI: InChI=1S/C15H10ClN5O/c16-10-2-4-11(5-3-10)19-15-21-20-14(22-15)9-1-6-12-13(7-9)18-8-17-12/h1-8H,(H,17,18)(H,19,21)
Standard InChI Key: GCHYBHWJFQYSMB-UHFFFAOYSA-N
Associated Targets(Human)
Glutaminyl-peptide cyclotransferase 1121 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: 311.73 | Molecular Weight (Monoisotopic): 311.0574 | AlogP: 4.01 | #Rotatable Bonds: 3 |
| Polar Surface Area: 79.63 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.54 | CX Basic pKa: 5.47 | CX LogP: 2.99 | CX LogD: 2.96 |
| Aromatic Rings: 4 | Heavy Atoms: 22 | QED Weighted: 0.60 | Np Likeness Score: -1.90 |
References
| 1. (2015) Inhibitors of glutaminyl cyclase, |
Source
Source(1):