| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3982082
Max Phase: Preclinical
Molecular Formula: C23H20ClF3N4O3
Molecular Weight: 492.89
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc3n(c2=O)CCN([C@@H]2CC[C@H]2Oc2cccc(C(F)(F)F)c2Cl)C3=O)cn1
Standard InChI: InChI=1S/C23H20ClF3N4O3/c1-13-11-29(12-28-13)16-5-6-17-22(33)30(9-10-31(17)21(16)32)15-7-8-18(15)34-19-4-2-3-14(20(19)24)23(25,26)27/h2-6,11-12,15,18H,7-10H2,1H3/t15-,18-/m1/s1
Standard InChI Key: SUHGMQUPYRSDJN-CRAIPNDOSA-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: 492.89 | Molecular Weight (Monoisotopic): 492.1176 | AlogP: 4.08 | #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: 2.94 | CX LogD: 2.94 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.55 | Np Likeness Score: -0.56 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):