| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985730
Max Phase: Preclinical
Molecular Formula: C24H25ClN4O4
Molecular Weight: 468.94
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(Cl)ccc1[C@H]1CC[C@@H](CN2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)O1
Standard InChI: InChI=1S/C24H25ClN4O4/c1-15-12-28(14-26-15)19-6-7-20-23(30)27(9-10-29(20)24(19)31)13-17-4-8-21(33-17)18-5-3-16(25)11-22(18)32-2/h3,5-7,11-12,14,17,21H,4,8-10,13H2,1-2H3/t17-,21+/m0/s1
Standard InChI Key: JVVREFVWRVVWAG-LAUBAEHRSA-N
Associated Targets(Human)
Presenilin 1 302 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: 468.94 | Molecular Weight (Monoisotopic): 468.1564 | AlogP: 3.38 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.59 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.83 | CX LogP: 1.94 | CX LogD: 1.94 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.57 | Np Likeness Score: -0.40 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):