| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5205738
Max Phase: Preclinical
Molecular Formula: C24H29FN2O5
Molecular Weight: 444.50
Associated Items:
Representations
Canonical SMILES: Cc1c([C@H](O)CN2CCC3(CC2)CCN(C2=C(F)C(=O)OC2)CC3)ccc2c1COC2=O
Standard InChI: InChI=1S/C24H29FN2O5/c1-15-16(2-3-17-18(15)13-31-22(17)29)20(28)12-26-8-4-24(5-9-26)6-10-27(11-7-24)19-14-32-23(30)21(19)25/h2-3,20,28H,4-14H2,1H3/t20-/m1/s1
Standard InChI Key: HZUIDBPFSMRNIK-HXUWFJFHSA-N
Associated Targets(Human)
ATP-sensitive inward rectifier potassium channel 1 862 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 444.50 | Molecular Weight (Monoisotopic): 444.2061 | AlogP: 2.61 | #Rotatable Bonds: 4 |
| Polar Surface Area: 79.31 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.53 | CX Basic pKa: 8.93 | CX LogP: 1.81 | CX LogD: 0.27 |
| Aromatic Rings: 1 | Heavy Atoms: 32 | QED Weighted: 0.72 | Np Likeness Score: -0.03 |
References
| 1. Silva JG, de Miranda AS, Ismail FMD, Barbosa LCA.. (2022) Synthesis and medicinal chemistry of tetronamides: Promising agrochemicals and antitumoral compounds., 67 [PMID:35598527] [10.1016/j.bmc.2022.116815] |
Source
Source(1):