| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4474540
Max Phase: Preclinical
Molecular Formula: C26H38N4O3
Molecular Weight: 454.62
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COCCN(C[C@H](C)O)[C@H](c1ccccn1)[C@@H](c1ccccn1)N1C2CCC1CC(OC)C2
Standard InChI: InChI=1S/C26H38N4O3/c1-19(31)18-29(14-15-32-2)25(23-8-4-6-12-27-23)26(24-9-5-7-13-28-24)30-20-10-11-21(30)17-22(16-20)33-3/h4-9,12-13,19-22,25-26,31H,10-11,14-18H2,1-3H3/t19-,20?,21?,22?,25+,26+/m0/s1
Standard InChI Key: MYSLBZIWENVPOT-KCEZSJFESA-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: 454.62 | Molecular Weight (Monoisotopic): 454.2944 | AlogP: 3.23 | #Rotatable Bonds: 11 |
| Polar Surface Area: 70.95 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.52 | CX LogP: 1.98 | CX LogD: 0.82 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.56 | Np Likeness Score: -0.41 |
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):