| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA422434
Max Phase: Preclinical
Molecular Formula: C36H74N4O7Si2
Molecular Weight: 731.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)C(N)=O
Standard InChI: InChI=1S/C36H74N4O7Si2/c1-20-23(4)29(30(37)41)40-32(43)28(22(2)3)39-31(42)26(25(6)46-48(16,17)35(10,11)12)21-27(47-49(18,19)36(13,14)15)24(5)38-33(44)45-34(7,8)9/h22-29H,20-21H2,1-19H3,(H2,37,41)(H,38,44)(H,39,42)(H,40,43)/t23?,24-,25-,26-,27+,28-,29-/m0/s1
Standard InChI Key: YOISDXAVGVRXOR-RDICNTSZSA-N
Associated Targets(Human)
Gamma-secretase subunit PEN-2 38 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: 731.18 | Molecular Weight (Monoisotopic): 730.5096 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. Nadin A, Owens AP, Castro JL, Harrison T, Shearman MS.. (2003) Synthesis and gamma-secretase activity of APP substrate-based hydroxyethylene dipeptide isosteres., 13 (1): [PMID:12467612] [10.1016/s0960-894x(02)00840-5] |
Source
Source(1):