| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3966656
Max Phase: Preclinical
Molecular Formula: C25H27ClN4O3
Molecular Weight: 466.97
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc3n(c2=O)CCN([C@@H]2CC[C@H]2Oc2ccc(Cl)c(C(C)C)c2)C3=O)cn1
Standard InChI: InChI=1S/C25H27ClN4O3/c1-15(2)18-12-17(4-5-19(18)26)33-23-9-8-20(23)29-10-11-30-22(25(29)32)7-6-21(24(30)31)28-13-16(3)27-14-28/h4-7,12-15,20,23H,8-11H2,1-3H3/t20-,23-/m1/s1
Standard InChI Key: ASEOFGJYBNVYKO-NFBKMPQASA-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: 466.97 | Molecular Weight (Monoisotopic): 466.1772 | AlogP: 4.19 | #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: 3.31 | CX LogD: 3.31 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.57 | Np Likeness Score: -0.44 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):