| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5089772
Max Phase: Preclinical
Molecular Formula: C23H25N5O3
Molecular Weight: 419.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4CCN(Cc5ncccn5)CC4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C23H25N5O3/c29-21-5-4-19(22(30)26-21)28-13-17-12-16(2-3-18(17)23(28)31)15-6-10-27(11-7-15)14-20-24-8-1-9-25-20/h1-3,8-9,12,15,19H,4-7,10-11,13-14H2,(H,26,29,30)
Standard InChI Key: DYRNAGDUEBHJDZ-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: 419.49 | Molecular Weight (Monoisotopic): 419.1957 | AlogP: 1.62 | #Rotatable Bonds: 4 |
| Polar Surface Area: 95.50 | 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: 6.99 | CX LogP: 0.81 | CX LogD: 0.67 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.76 | Np Likeness Score: -0.40 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):