| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5087720
Max Phase: Preclinical
Molecular Formula: C26H29N3O3
Molecular Weight: 431.54
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc([C@H]4CCCN(Cc5ccccc5)CC4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C26H29N3O3/c30-24-11-10-23(25(31)27-24)29-17-21-15-20(8-9-22(21)26(29)32)19-7-4-13-28(14-12-19)16-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,19,23H,4,7,10-14,16-17H2,(H,27,30,31)/t19-,23?/m0/s1
Standard InChI Key: KAJNVQAGLMPGCW-HSTJUUNISA-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: 431.54 | Molecular Weight (Monoisotopic): 431.2209 | AlogP: 3.22 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.72 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.62 | CX Basic pKa: 9.63 | CX LogP: 2.67 | CX LogD: 0.57 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.76 | Np Likeness Score: -0.31 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):