| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2288081
Max Phase: Preclinical
Molecular Formula: C21H24N2O
Molecular Weight: 320.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)Cn1cncc1-c1cccc(OCc2ccccc2)c1
Standard InChI: InChI=1S/C21H24N2O/c1-21(2,3)15-23-16-22-13-20(23)18-10-7-11-19(12-18)24-14-17-8-5-4-6-9-17/h4-13,16H,14-15H2,1-3H3
Standard InChI Key: UELBRMVZYVFIOA-UHFFFAOYSA-N
Associated Targets(non-human)
Bombyx mori 577 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: 320.44 | Molecular Weight (Monoisotopic): 320.1889 | AlogP: 5.18 | #Rotatable Bonds: 5 |
| Polar Surface Area: 27.05 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.17 | CX LogP: 4.83 | CX LogD: 4.82 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.65 | Np Likeness Score: -0.94 |
References
| 1. KUWANO E, HISANO T, ETO M. (1991) Synthesis and Insect Growth Regulatory Activity of 1,5-Disubstituted Imidazoles with Non-terpene Chains., 55 (12): [10.1271/bbb1961.55.2999] |
Source
Source(1):