| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3659164
Max Phase: Preclinical
Molecular Formula: C25H26N8O2
Molecular Weight: 470.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [C-]#[N+]c1cccc([C@@H]2CN3CCN(C(=O)C4CCc5cc(-n6cnnn6)ncc54)C[C@@H]3CO2)c1C
Standard InChI: InChI=1S/C25H26N8O2/c1-16-19(4-3-5-22(16)26-2)23-13-31-8-9-32(12-18(31)14-35-23)25(34)20-7-6-17-10-24(27-11-21(17)20)33-15-28-29-30-33/h3-5,10-11,15,18,20,23H,6-9,12-14H2,1H3/t18-,20?,23+/m1/s1
Standard InChI Key: LOSWIWFVKGGIDP-RAWUHTOPSA-N
Associated Targets(non-human)
ATP-sensitive inward rectifier potassium channel 1 313 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: 470.54 | Molecular Weight (Monoisotopic): 470.2179 | AlogP: 2.23 | #Rotatable Bonds: 3 |
| Polar Surface Area: 93.63 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.47 | CX LogP: -0.03 | CX LogD: -0.03 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.54 | Np Likeness Score: -1.20 |
References
| 1. (2015) Inhibitors of the renal outer medullary potassium channel, |
Source
Source(1):