| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3659160
Max Phase: Preclinical
Molecular Formula: C27H28FN7O4
Molecular Weight: 533.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1Cc2c(ccc([C@@H]3CN4CCN(C(=O)C5CCc6nc(-n7cnnn7)ccc65)C[C@H]4CO3)c2F)C(=O)O1
Standard InChI: InChI=1S/C27H28FN7O4/c1-15-10-21-19(27(37)39-15)2-3-20(25(21)28)23-12-33-8-9-34(11-16(33)13-38-23)26(36)18-4-6-22-17(18)5-7-24(30-22)35-14-29-31-32-35/h2-3,5,7,14-16,18,23H,4,6,8-13H2,1H3/t15-,16+,18?,23+/m1/s1
Standard InChI Key: SOSQLHPGHQRBCR-XDHOFOIASA-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: 533.56 | Molecular Weight (Monoisotopic): 533.2187 | AlogP: 1.61 | #Rotatable Bonds: 3 |
| Polar Surface Area: 115.57 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 4.23 | CX LogP: 2.01 | CX LogD: 2.01 |
| Aromatic Rings: 3 | Heavy Atoms: 39 | QED Weighted: 0.46 | Np Likeness Score: -1.05 |
References
| 1. (2015) Inhibitors of the renal outer medullary potassium channel, |
Source
Source(1):