| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3654355
Max Phase: Preclinical
Molecular Formula: C25H24Cl2N4O2
Molecular Weight: 483.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCN(Cc1ccccn1)C(=O)Cc1c(-c2ccc(Cl)c(Cl)c2)nc2cc(C)ccn12
Standard InChI: InChI=1S/C25H24Cl2N4O2/c1-17-8-10-31-22(25(29-23(31)13-17)18-6-7-20(26)21(27)14-18)15-24(32)30(11-12-33-2)16-19-5-3-4-9-28-19/h3-10,13-14H,11-12,15-16H2,1-2H3
Standard InChI Key: UEUYZNBMUXXLAY-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: 483.40 | Molecular Weight (Monoisotopic): 482.1276 | AlogP: 5.23 | #Rotatable Bonds: 8 |
| Polar Surface Area: 59.73 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.16 | CX LogP: 4.25 | CX LogD: 4.25 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.34 | Np Likeness Score: -2.20 |
References
| 1. (2015) 2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof, |
Source
Source(1):