| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3979115
Max Phase: Preclinical
Molecular Formula: C24H21F5N4O3
Molecular Weight: 508.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2CC[C@H](c4cc(F)c(C(F)(F)F)c(F)c4)O2)C3=O)cn1
Standard InChI: InChI=1S/C24H21F5N4O3/c1-13-10-32(12-30-13)18-3-4-19-22(34)31(6-7-33(19)23(18)35)11-15-2-5-20(36-15)14-8-16(25)21(17(26)9-14)24(27,28)29/h3-4,8-10,12,15,20H,2,5-7,11H2,1H3/t15-,20+/m0/s1
Standard InChI Key: ATYXSHBRZUUWNL-MGPUTAFESA-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: 508.45 | Molecular Weight (Monoisotopic): 508.1534 | AlogP: 4.02 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.36 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 3.83 | CX LogP: 2.65 | CX LogD: 2.65 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.50 | Np Likeness Score: -0.40 |
References
| 1. (2015) Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders, |
Source
Source(1):