| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2286717
Max Phase: Preclinical
Molecular Formula: C18H22N2O
Molecular Weight: 282.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)N(Cc1ccccc1)NC(=O)c1ccccc1
Standard InChI: InChI=1S/C18H22N2O/c1-18(2,3)20(14-15-10-6-4-7-11-15)19-17(21)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3,(H,19,21)
Standard InChI Key: IWYDWHLYOHODPO-UHFFFAOYSA-N
Associated Targets(non-human)
Ecdysone receptor 183 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: 282.39 | Molecular Weight (Monoisotopic): 282.1732 | AlogP: 3.63 | #Rotatable Bonds: 4 |
| Polar Surface Area: 32.34 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.78 | CX LogP: 3.47 | CX LogD: 3.47 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.87 | Np Likeness Score: -0.76 |
References
| 1. Soin T, Swevers L, Kotzia G, Iatrou K, Janssen CR, Rougé P, Harada T, Nakagawa Y, Smagghe G.. (2010) Comparison of the activity of non-steroidal ecdysone agonists between dipteran and lepidopteran insects, using cell-based EcR reporter assays., 66 (11): [PMID:20672340] [10.1002/ps.1998] |
Source
Source(1):