| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5078352
Max Phase: Preclinical
Molecular Formula: C27H28F3N3O5
Molecular Weight: 485.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4CCN(C(c5ccccc5)C(F)(F)F)CC4)ccc3C2=O)C(=O)N1.O=CO
Standard InChI: InChI=1S/C26H26F3N3O3.CH2O2/c27-26(28,29)23(17-4-2-1-3-5-17)31-12-10-16(11-13-31)18-6-7-20-19(14-18)15-32(25(20)35)21-8-9-22(33)30-24(21)34;2-1-3/h1-7,14,16,21,23H,8-13,15H2,(H,30,33,34);1H,(H,2,3)
Standard InChI Key: QNRRWWBBLSTCBN-UHFFFAOYSA-N
Associated Targets(Human)
DNA-binding protein Ikaros 184 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: 485.51 | Molecular Weight (Monoisotopic): 485.1926 | AlogP: 3.93 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.72 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.61 | CX Basic pKa: 3.39 | CX LogP: 3.35 | CX LogD: 3.35 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.67 | Np Likeness Score: -0.11 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):