| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3349188
Max Phase: Preclinical
Molecular Formula: C13H23NO2
Molecular Weight: 225.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)C(C)(C)C)C2
Standard InChI: InChI=1S/C13H23NO2/c1-13(2,3)12(15)16-11-7-9-5-6-10(8-11)14(9)4/h9-11H,5-8H2,1-4H3/t9-,10+,11-
Standard InChI Key: WCVUNNFIMHHLHB-JGPRNRPPSA-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: 225.33 | Molecular Weight (Monoisotopic): 225.1729 | AlogP: 2.20 | #Rotatable Bonds: 1 |
| Polar Surface Area: 29.54 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.39 | CX LogP: 2.27 | CX LogD: 0.30 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.64 | Np Likeness Score: 0.71 |
References
| 1. Toyomura N, Kuwano E.. (1998) Effect of tropine derivatives, antimuscarinic agents, on the growth of Bombyx mori larvae., 62 (10): [PMID:9836442] [10.1271/bbb.62.2046] |
Source
Source(1):