| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4466634
Max Phase: Preclinical
Molecular Formula: C24H38N4O2
Molecular Weight: 414.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCN(CC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CCOC)C[C@H](C)CO
Standard InChI: InChI=1S/C24H38N4O2/c1-5-15-27(6-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(16-17-30-4)18-20(3)19-29/h7-14,20,23-24,29H,5-6,15-19H2,1-4H3/t20-,23+,24+/m0/s1
Standard InChI Key: VOVVOYNEQIHWDR-TUACAJSNSA-N
Associated Targets(Human)
Voltage-gated potassium channel subunit Kv1.5 1353 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 414.59 | Molecular Weight (Monoisotopic): 414.2995 | AlogP: 3.57 | #Rotatable Bonds: 14 |
| Polar Surface Area: 61.72 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.33 | CX LogP: 2.85 | CX LogD: 1.87 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.51 | Np Likeness Score: -0.80 |
References
| 1. Kajanus J, Antonsson T, Carlsson L, Jurva U, Pettersen A, Sundell J, Inghardt T.. (2019) Potassium channel blocking 1,2-bis(aryl)ethane-1,2-diamines active as antiarrhythmic agents., 29 (10): [PMID:30879840] [10.1016/j.bmcl.2019.03.006] |
Source
Source(1):