| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA125327
Max Phase: Preclinical
Molecular Formula: C21H29N3O2
Molecular Weight: 355.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCc1noc(-c2ccc(C(=O)NC[C@H]3CCCC3(C)C)cc2)n1
Standard InChI: InChI=1S/C21H29N3O2/c1-4-5-8-18-23-20(26-24-18)16-11-9-15(10-12-16)19(25)22-14-17-7-6-13-21(17,2)3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25)/t17-/m1/s1
Standard InChI Key: MXHSFPJPOSZOQI-QGZVFWFLSA-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: 355.48 | Molecular Weight (Monoisotopic): 355.2260 | AlogP: 4.64 | #Rotatable Bonds: 7 |
| Polar Surface Area: 68.02 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.12 | CX LogD: 5.12 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.79 | Np Likeness Score: -0.62 |
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):