| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5082823
Max Phase: Preclinical
Molecular Formula: C18H19N3O3
Molecular Weight: 325.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4=CCCNC4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C18H19N3O3/c22-16-6-5-15(17(23)20-16)21-10-13-8-11(3-4-14(13)18(21)24)12-2-1-7-19-9-12/h2-4,8,15,19H,1,5-7,9-10H2,(H,20,22,23)
Standard InChI Key: PZNBJEGPNSAPAI-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: 325.37 | Molecular Weight (Monoisotopic): 325.1426 | AlogP: 0.82 | #Rotatable Bonds: 2 |
| Polar Surface Area: 78.51 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.61 | CX Basic pKa: 9.42 | CX LogP: 0.12 | CX LogD: -1.89 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.79 | Np Likeness Score: 0.54 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):