| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115494
Max Phase: Preclinical
Molecular Formula: C23H26N4O4
Molecular Weight: 422.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](NC(=O)c1cc(C(=O)NC(C)c2ccno2)n2c1COCC2)c1ccccc1
Standard InChI: InChI=1S/C23H26N4O4/c1-3-18(16-7-5-4-6-8-16)26-22(28)17-13-19(27-11-12-30-14-20(17)27)23(29)25-15(2)21-9-10-24-31-21/h4-10,13,15,18H,3,11-12,14H2,1-2H3,(H,25,29)(H,26,28)/t15?,18-/m1/s1
Standard InChI Key: KVWNOZKUADAWPH-KPMSDPLLSA-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: 422.49 | Molecular Weight (Monoisotopic): 422.1954 | AlogP: 3.38 | #Rotatable Bonds: 7 |
| Polar Surface Area: 98.39 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.06 | CX LogD: 2.06 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.61 | Np Likeness Score: -1.30 |
References
| 1. (2016) Fused pyrroledicarboxamides and their use as pharmaceuticals, |
Source
Source(1):