| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA58036
Max Phase: Preclinical
Molecular Formula: C27H44O2Si
Molecular Weight: 428.73
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)[C@@H](O)C#C[Si](C)(C)C
Standard InChI: InChI=1S/C27H44O2Si/c1-18(25(29)13-16-30(4,5)6)22-9-10-23-21-8-7-19-17-20(28)11-14-26(19,2)24(21)12-15-27(22,23)3/h7,18,20-25,28-29H,8-12,14-15,17H2,1-6H3/t18?,20-,21?,22?,23?,24?,25-,26-,27+/m0/s1
Standard InChI Key: HMFSWDGYRMKNIS-QDHOZKRDSA-N
Associated Targets(non-human)
Locusta migratoria 14 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: 428.73 | Molecular Weight (Monoisotopic): 428.3111 | 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. Mauvais A, Hetru C, Luu B. (1993) Synthesis of ecdysteroid inhibitors of ecdysone biosynthesis. Inhibition of the C-25 hydroxylation., 3 (10): [10.1016/S0960-894X(01)80993-8] |
Source
Source(1):