| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA58087
Max Phase: Preclinical
Molecular Formula: C24H36O2
Molecular Weight: 356.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C#C[C@H](O)C(C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
Standard InChI: InChI=1S/C24H36O2/c1-5-22(26)15(2)19-8-9-20-18-7-6-16-14-17(25)10-12-23(16,3)21(18)11-13-24(19,20)4/h1,6,15,17-22,25-26H,7-14H2,2-4H3/t15?,17-,18?,19?,20?,21?,22-,23-,24+/m0/s1
Standard InChI Key: QJVNZKWVCLFJPI-RILGOXKMSA-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: 356.55 | Molecular Weight (Monoisotopic): 356.2715 | AlogP: 4.56 | #Rotatable Bonds: 2 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.98 | CX LogD: 3.98 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.56 | Np Likeness Score: 2.71 |
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):