| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3981756
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@H]2C[C@H](COc4ccc(F)cc4C(F)(F)F)C2)C3=O)cn1
Standard InChI: InChI=1S/C24H22F4N4O3/c1-14-11-30(13-29-14)19-3-4-20-23(34)31(6-7-32(20)22(19)33)17-8-15(9-17)12-35-21-5-2-16(25)10-18(21)24(26,27)28/h2-5,10-11,13,15,17H,6-9,12H2,1H3/t15-,17-
Standard InChI Key: RVPNZPUGQPTCES-JCNLHEQBSA-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: 3.81 | #Rotatable Bonds: 5 |
| 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: 2.48 | CX LogD: 2.48 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.51 | Np Likeness Score: -1.00 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):