| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5074875
Max Phase: Preclinical
Molecular Formula: C24H23N3O3
Molecular Weight: 401.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4=CCN(Cc5ccccc5)C4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C24H23N3O3/c28-22-9-8-21(23(29)25-22)27-15-19-12-17(6-7-20(19)24(27)30)18-10-11-26(14-18)13-16-4-2-1-3-5-16/h1-7,10,12,21H,8-9,11,13-15H2,(H,25,28,29)
Standard InChI Key: QRWDIFDTPZXIKO-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: 401.47 | Molecular Weight (Monoisotopic): 401.1739 | AlogP: 2.35 | #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: 8.50 | CX LogP: 1.93 | CX LogD: 0.80 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.80 | Np Likeness Score: 0.03 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):