| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA121822
Max Phase: Preclinical
Molecular Formula: C21H33NO2
Molecular Weight: 331.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCOc1ccc(C(=O)N2CCC(C(C)(C)C)C2)cc1
Standard InChI: InChI=1S/C21H33NO2/c1-5-6-7-8-15-24-19-11-9-17(10-12-19)20(23)22-14-13-18(16-22)21(2,3)4/h9-12,18H,5-8,13-16H2,1-4H3
Standard InChI Key: MFKDNMHZILMJII-UHFFFAOYSA-N
Associated Targets(non-human)
Voltage-gated potassium channel subunit Kv7.1 54 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: 331.50 | Molecular Weight (Monoisotopic): 331.2511 | AlogP: 5.15 | #Rotatable Bonds: 7 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.13 | CX LogD: 5.13 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.65 | Np Likeness Score: -0.93 |
References
| 1. Lloyd J, Schmidt JB, Rovnyak G, Ahmad S, Atwal KS, Bisaha SN, Doweyko LM, Stein PD, Traeger SC, Mathur A, Conder ML, DiMarco J, Harper TW, Jenkins-West T, Levesque PC, Normandin DE, Russell AD, Serafino RP, Smith MA, Lodge NJ.. (2001) Design and synthesis of 4-substituted benzamides as potent, selective, and orally bioavailable I(Ks) blockers., 44 (23): [PMID:11689063] [10.1021/jm015505u] |
Source
Source(1):