| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5077358
Max Phase: Preclinical
Molecular Formula: C27H32N4O4
Molecular Weight: 476.58
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)n1
Standard InChI: InChI=1S/C27H32N4O4/c1-17(2)35-25-5-3-4-21(28-25)16-30-12-10-18(11-13-30)19-6-7-22-20(14-19)15-31(27(22)34)23-8-9-24(32)29-26(23)33/h3-7,14,17-18,23H,8-13,15-16H2,1-2H3,(H,29,32,33)
Standard InChI Key: DFTYZYMTQXDXLK-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: 476.58 | Molecular Weight (Monoisotopic): 476.2424 | AlogP: 3.01 | #Rotatable Bonds: 6 |
| Polar Surface Area: 91.84 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.61 | CX Basic pKa: 7.94 | CX LogP: 2.41 | CX LogD: 1.76 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.64 | Np Likeness Score: -0.58 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):