| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA611481
Max Phase: Preclinical
Molecular Formula: C20H25NO3
Molecular Weight: 327.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(CC2c3c(cccc3OC)CCN2C)cc1OC
Standard InChI: InChI=1S/C20H25NO3/c1-21-11-10-15-6-5-7-18(23-3)20(15)16(21)12-14-8-9-17(22-2)19(13-14)24-4/h5-9,13,16H,10-12H2,1-4H3
Standard InChI Key: SLDMGDSIMNWNIK-UHFFFAOYSA-N
Associated Targets(non-human)
Small conductance calcium-activated potassium channel 260 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: 327.42 | Molecular Weight (Monoisotopic): 327.1834 | AlogP: 3.48 | #Rotatable Bonds: 5 |
| Polar Surface Area: 30.93 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.15 | CX LogP: 3.55 | CX LogD: 2.73 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.84 | Np Likeness Score: 0.50 |
References
| 1. Graulich A, Scuvée-Moreau J, Seutin V, Liégeois JF.. (2005) Synthesis and radioligand binding studies of C-5- and C-8-substituted 1-(3,4-dimethoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinoliniums as SK channel blockers related to N-methyl-laudanosine and N-methyl-noscapine., 48 (15): [PMID:16033276] [10.1021/jm049025p] |
Source
Source(1):