| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3084810
Max Phase: Preclinical
Molecular Formula: C15H25NO2
Molecular Weight: 251.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCNC(=O)OC1C2CC3CC(C2)CC1C3
Standard InChI: InChI=1S/C15H25NO2/c1-2-3-4-16-15(17)18-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3,(H,16,17)
Standard InChI Key: JWFLTSVSQOTQSP-UHFFFAOYSA-N
Associated Targets(non-human)
Butyrylcholinesterase 805 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: 251.37 | Molecular Weight (Monoisotopic): 251.1885 | AlogP: 3.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 38.33 | 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: | CX LogP: 3.31 | CX LogD: 3.31 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.78 | Np Likeness Score: -0.01 |
References
| 1. Lin G, Chen GH, Ho HC.. (1998) Conformationally restricted carbamate inhibitors of horse serum butyrylcholinesterase., 8 (19): [PMID:9873615] [10.1016/s0960-894x(98)00484-3] |
Source
Source(1):