| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115618
Max Phase: Preclinical
Molecular Formula: C26H27N3O3
Molecular Weight: 429.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N2Cc3ccccc3C2)n2c1COCC2)c1ccccc1
Standard InChI: InChI=1S/C26H27N3O3/c1-2-22(18-8-4-3-5-9-18)27-25(30)21-14-23(29-12-13-32-17-24(21)29)26(31)28-15-19-10-6-7-11-20(19)16-28/h3-11,14,22H,2,12-13,15-17H2,1H3,(H,27,30)/t22-/m1/s1
Standard InChI Key: DBXZHMBWDKWDHV-JOCHJYFZSA-N
Associated Targets(Human)
Potassium channel subfamily K member 3 756 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: 429.52 | Molecular Weight (Monoisotopic): 429.2052 | AlogP: 4.06 | #Rotatable Bonds: 5 |
| Polar Surface Area: 63.57 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.33 | CX LogD: 3.33 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.67 | Np Likeness Score: -1.17 |
References
| 1. (2016) Fused pyrroledicarboxamides and their use as pharmaceuticals, |
Source
Source(1):