| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3965573
Max Phase: Preclinical
Molecular Formula: C25H25F3N4O3
Molecular Weight: 486.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc3n(c2=O)CCN(C[C@H]2CCC[C@@H](c4ccc(C(F)(F)F)cc4)O2)C3=O)cn1
Standard InChI: InChI=1S/C25H25F3N4O3/c1-16-13-31(15-29-16)20-9-10-21-23(33)30(11-12-32(21)24(20)34)14-19-3-2-4-22(35-19)17-5-7-18(8-6-17)25(26,27)28/h5-10,13,15,19,22H,2-4,11-12,14H2,1H3/t19-,22+/m1/s1
Standard InChI Key: CSLJPPGFVWJJFF-KNQAVFIVSA-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: 486.49 | Molecular Weight (Monoisotopic): 486.1879 | AlogP: 4.13 | #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: 2.81 | CX LogD: 2.81 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.56 | Np Likeness Score: -0.61 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):