| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA334351
Max Phase: Preclinical
Molecular Formula: C30H60N4O7Si
Molecular Weight: 616.92
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(C)C(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)O
Standard InChI: InChI=1S/C30H60N4O7Si/c1-15-18(4)21(27(38)32-19(5)26(37)33-24(20(6)35)25(31)36)16-22(41-42(13,14)30(10,11)12)23(17(2)3)34-28(39)40-29(7,8)9/h17-24,35H,15-16H2,1-14H3,(H2,31,36)(H,32,38)(H,33,37)(H,34,39)/t18?,19-,20?,21?,22+,23-,24-/m0/s1
Standard InChI Key: JYJIQHFPZGIZNM-OQEWMXBASA-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: 616.92 | Molecular Weight (Monoisotopic): 616.4231 | 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):