| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3659170
Max Phase: Preclinical
Molecular Formula: C26H28N8O3
Molecular Weight: 500.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c([C@H]2CN3CCN(C(=O)C4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CN2)ccc2c1COC2=O
Standard InChI: InChI=1S/C26H28N8O3/c1-15-18(4-5-20-22(15)13-37-26(20)36)23-12-32-6-7-33(11-17(32)9-27-23)25(35)19-3-2-16-8-24(28-10-21(16)19)34-14-29-30-31-34/h4-5,8,10,14,17,19,23,27H,2-3,6-7,9,11-13H2,1H3/t17-,19?,23-/m1/s1
Standard InChI Key: KAIVPFKYDYSHMJ-QKLBRSPYSA-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: 500.56 | Molecular Weight (Monoisotopic): 500.2284 | AlogP: 0.92 | #Rotatable Bonds: 3 |
| Polar Surface Area: 118.37 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 13.87 | CX Basic pKa: 7.98 | CX LogP: 1.48 | CX LogD: 0.80 |
| Aromatic Rings: 3 | Heavy Atoms: 37 | QED Weighted: 0.52 | Np Likeness Score: -0.93 |
References
| 1. (2015) Inhibitors of the renal outer medullary potassium channel, |
Source
Source(1):