| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115465
Max Phase: Preclinical
Molecular Formula: C22H29N3O3
Molecular Weight: 383.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N(CC)CC)n2c1COCC2)c1ccccc1
Standard InChI: InChI=1S/C22H29N3O3/c1-4-18(16-10-8-7-9-11-16)23-21(26)17-14-19(22(27)24(5-2)6-3)25-12-13-28-15-20(17)25/h7-11,14,18H,4-6,12-13,15H2,1-3H3,(H,23,26)/t18-/m1/s1
Standard InChI Key: HTPUBHYKCRGUNT-GOSISDBHSA-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: 383.49 | Molecular Weight (Monoisotopic): 383.2209 | AlogP: 3.38 | #Rotatable Bonds: 7 |
| 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: 2.57 | CX LogD: 2.57 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.80 | Np Likeness Score: -1.38 |
References
| 1. (2016) Fused pyrroledicarboxamides and their use as pharmaceuticals, |
Source
Source(1):