| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980167
Max Phase: Preclinical
Molecular Formula: C24H22F4N4O3
Molecular Weight: 490.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2C[C@@H](F)[C@H](c4ccc(C(F)(F)F)cc4)O2)C3=O)cn1
Standard InChI: InChI=1S/C24H22F4N4O3/c1-14-11-31(13-29-14)19-6-7-20-22(33)30(8-9-32(20)23(19)34)12-17-10-18(25)21(35-17)15-2-4-16(5-3-15)24(26,27)28/h2-7,11,13,17-18,21H,8-10,12H2,1H3/t17-,18+,21-/m0/s1
Standard InChI Key: HHALZMAKFSSPFQ-UEXGIBASSA-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: 490.46 | Molecular Weight (Monoisotopic): 490.1628 | AlogP: 3.69 | #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: 2.11 | CX LogD: 2.11 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.52 | Np Likeness Score: -0.52 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):