| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA475725
Max Phase: Preclinical
Molecular Formula: C25H36N4O4
Molecular Weight: 456.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2
Standard InChI: InChI=1S/C25H36N4O4/c1-2-3-16-32-20-9-10-23-21(18-20)22(11-17-33-23)26-29-19-24(30)28(25(29)31)15-8-7-14-27-12-5-4-6-13-27/h9-10,18H,2-8,11-17,19H2,1H3/b26-22+
Standard InChI Key: QNGOGRWIZKPKHV-XTCLZLMSSA-N
Associated Targets(non-human)
Potassium voltage-gated channel subfamily H member 2 24 Activities
Voltage-gated potassium channel subunit Kv7.1 54 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: 456.59 | Molecular Weight (Monoisotopic): 456.2737 | AlogP: 3.88 | #Rotatable Bonds: 10 |
| Polar Surface Area: 74.68 | Molecular Species: BASE | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.95 | CX Basic pKa: 9.57 | CX LogP: 3.15 | CX LogD: 1.00 |
| Aromatic Rings: 1 | Heavy Atoms: 33 | QED Weighted: 0.39 | Np Likeness Score: -0.84 |
References
| 1. Du L, Li M, Yang Q, Tang Y, You Q, Xia L.. (2009) Molecular hybridization, synthesis, and biological evaluation of novel chroman I(Kr) and I(Ks) dual blockers., 19 (5): [PMID:19185489] [10.1016/j.bmcl.2009.01.022] |
Source
Source(1):