| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2288094
Max Phase: Preclinical
Molecular Formula: C23H32N2O
Molecular Weight: 352.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C/COc1cccc(-c2cncn2CC(C)C)c1
Standard InChI: InChI=1S/C23H32N2O/c1-18(2)8-6-9-20(5)12-13-26-22-11-7-10-21(14-22)23-15-24-17-25(23)16-19(3)4/h7-8,10-12,14-15,17,19H,6,9,13,16H2,1-5H3/b20-12+
Standard InChI Key: HBEASKRNXAZYJQ-UDWIEESQSA-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: 352.52 | Molecular Weight (Monoisotopic): 352.2515 | AlogP: 6.28 | #Rotatable Bonds: 9 |
| 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: 5.75 | CX LogD: 5.73 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.50 | Np Likeness Score: 0.38 |
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):