| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3965759
Max Phase: Preclinical
Molecular Formula: C23H21F3N4O3
Molecular Weight: 458.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc3n(c2=O)CCN([C@H]2C[C@H](Oc4ccccc4C(F)(F)F)C2)C3=O)cn1
Standard InChI: InChI=1S/C23H21F3N4O3/c1-14-12-28(13-27-14)18-6-7-19-22(32)29(8-9-30(19)21(18)31)15-10-16(11-15)33-20-5-3-2-4-17(20)23(24,25)26/h2-7,12-13,15-16H,8-11H2,1H3/t15-,16-
Standard InChI Key: AOJACIPJVMFUDR-WKILWMFISA-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: 458.44 | Molecular Weight (Monoisotopic): 458.1566 | AlogP: 3.43 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.36 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.83 | CX LogP: 1.88 | CX LogD: 1.88 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.60 | Np Likeness Score: -0.72 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):