| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4741365
Max Phase: Preclinical
Molecular Formula: C26H28ClFN2O3
Molecular Weight: 470.97
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)N1C(=O)/C(=C/c2ccc(F)cc2)CC1(C(=O)NC(C)(C)C)C(=O)c1ccc(Cl)cc1
Standard InChI: InChI=1S/C26H28ClFN2O3/c1-16(2)30-23(32)19(14-17-6-12-21(28)13-7-17)15-26(30,24(33)29-25(3,4)5)22(31)18-8-10-20(27)11-9-18/h6-14,16H,15H2,1-5H3,(H,29,33)/b19-14+
Standard InChI Key: DXOZHSOPRUGFBJ-XMHGGMMESA-N
Associated Targets(Human)
Ca-Ski 420 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 470.97 | Molecular Weight (Monoisotopic): 470.1772 | AlogP: 5.04 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.48 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.99 | CX LogD: 4.99 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.38 | Np Likeness Score: -0.67 |
References
| 1. Zhu XL,Tian XQ,Xu HH,Wang HM,Chen QH,Zeng XH. (2020) Rhopaladins' analogue (E)-2-aroyl-4-(4-fluorobenzylidene)-5-oxopyrrolidines inhibit proliferation, promote apoptosis and down-regulation of E6/E7 mRNA in cervical cancer., 30 (23): [PMID:32950616] [10.1016/j.bmcl.2020.127554] |
Source
Source(1):