| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5088976
Max Phase: Preclinical
Molecular Formula: C21H23N5O4
Molecular Weight: 409.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4CCN(Cc5ncon5)CC4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C21H23N5O4/c27-19-4-3-17(20(28)23-19)26-10-15-9-14(1-2-16(15)21(26)29)13-5-7-25(8-6-13)11-18-22-12-30-24-18/h1-2,9,12-13,17H,3-8,10-11H2,(H,23,27,28)
Standard InChI Key: HXXJWEVZPRUIGJ-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: 409.45 | Molecular Weight (Monoisotopic): 409.1750 | AlogP: 1.21 | #Rotatable Bonds: 4 |
| Polar Surface Area: 108.64 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.61 | CX Basic pKa: 6.06 | CX LogP: 0.53 | CX LogD: 0.51 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.76 | Np Likeness Score: -0.52 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):