| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3974235
Max Phase: Preclinical
Molecular Formula: C23H22F2N4O2
Molecular Weight: 424.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc3n(c2=O)CCN([C@@H]2CCC[C@@H]2c2cc(F)cc(F)c2)C3=O)cn1
Standard InChI: InChI=1S/C23H22F2N4O2/c1-14-12-27(13-26-14)20-5-6-21-23(31)28(7-8-29(21)22(20)30)19-4-2-3-18(19)15-9-16(24)11-17(25)10-15/h5-6,9-13,18-19H,2-4,7-8H2,1H3/t18-,19-/m1/s1
Standard InChI Key: CRWYIPSUYNDEED-RTBURBONSA-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: 424.45 | Molecular Weight (Monoisotopic): 424.1711 | AlogP: 3.41 | #Rotatable Bonds: 3 |
| Polar Surface Area: 60.13 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.83 | CX LogP: 2.43 | CX LogD: 2.43 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.65 | Np Likeness Score: -0.58 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):