| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980878
Max Phase: Preclinical
Molecular Formula: C17H15N5O
Molecular Weight: 305.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(CNc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1
Standard InChI: InChI=1S/C17H15N5O/c1-11-2-4-12(5-3-11)9-18-17-22-21-16(23-17)13-6-7-14-15(8-13)20-10-19-14/h2-8,10H,9H2,1H3,(H,18,22)(H,19,20)
Standard InChI Key: ORKNJDIGPCVHGG-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: 305.34 | Molecular Weight (Monoisotopic): 305.1277 | AlogP: 3.53 | #Rotatable Bonds: 4 |
| 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: 10.64 | CX Basic pKa: 5.47 | CX LogP: 2.66 | CX LogD: 2.66 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.60 | Np Likeness Score: -1.62 |
References
| 1. (2015) Inhibitors of glutaminyl cyclase, |
Source
Source(1):