| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3654356
Max Phase: Preclinical
Molecular Formula: C26H27N3O
Molecular Weight: 397.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12
Standard InChI: InChI=1S/C26H27N3O/c1-4-28(18-21-8-6-5-7-9-21)25(30)17-23-26(22-12-10-19(2)11-13-22)27-24-16-20(3)14-15-29(23)24/h5-16H,4,17-18H2,1-3H3
Standard InChI Key: WDNQTDRSVLELNO-UHFFFAOYSA-N
Associated Targets(non-human)
Peripheral-type benzodiazepine receptor 1942 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: 397.52 | Molecular Weight (Monoisotopic): 397.2154 | AlogP: 5.21 | #Rotatable Bonds: 6 |
| Polar Surface Area: 37.61 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.12 | CX LogP: 5.10 | CX LogD: 5.10 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.45 | Np Likeness Score: -1.75 |
References
| 1. (2015) 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof, |
Source
Source(1):