| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3321875
Max Phase: Preclinical
Molecular Formula: C16H26N2O3
Molecular Weight: 294.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)C(C)c1ccc(OC(=O)N(C)C)c(OC)c1
Standard InChI: InChI=1S/C16H26N2O3/c1-7-18(8-2)12(3)13-9-10-14(15(11-13)20-6)21-16(19)17(4)5/h9-12H,7-8H2,1-6H3
Standard InChI Key: BGECHUZTMXIQNF-UHFFFAOYSA-N
Associated Targets(non-human)
Acetylcholinesterase 2577 Activities
Butyrylcholinesterase 745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 294.40 | Molecular Weight (Monoisotopic): 294.1943 | AlogP: 3.16 | #Rotatable Bonds: 6 |
| Polar Surface Area: 42.01 | Molecular Species: BASE | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.22 | CX LogP: 2.61 | CX LogD: 0.79 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.81 | Np Likeness Score: -0.78 |
References
| 1. Li Y, Peng P, Tang L, Hu Y, Hu Y, Sheng R.. (2014) Design, synthesis and evaluation of rivastigmine and curcumin hybrids as site-activated multitarget-directed ligands for Alzheimer's disease therapy., 22 (17): [PMID:25082512] [10.1016/j.bmc.2014.07.009] |
Source
Source(1):