| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3654357
Max Phase: Preclinical
Molecular Formula: C25H26N4O
Molecular Weight: 398.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(Cc1ccccn1)C(=O)Cc1c(-c2ccc(C)cc2)nc2cc(C)ccn12
Standard InChI: InChI=1S/C25H26N4O/c1-4-28(17-21-7-5-6-13-26-21)24(30)16-22-25(20-10-8-18(2)9-11-20)27-23-15-19(3)12-14-29(22)23/h5-15H,4,16-17H2,1-3H3
Standard InChI Key: AUNINMCWJJJEJY-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: 398.51 | Molecular Weight (Monoisotopic): 398.2107 | AlogP: 4.60 | #Rotatable Bonds: 6 |
| Polar Surface Area: 50.50 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.17 | CX LogP: 3.96 | CX LogD: 3.96 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.48 | Np Likeness Score: -2.06 |
References
| 1. (2015) 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof, |
Source
Source(1):