| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5094460
Max Phase: Preclinical
Molecular Formula: C28H28N4O3S
Molecular Weight: 500.62
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4CCN(Cc5csc(-c6ccccc6)n5)CC4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C28H28N4O3S/c33-25-9-8-24(26(34)30-25)32-15-21-14-20(6-7-23(21)28(32)35)18-10-12-31(13-11-18)16-22-17-36-27(29-22)19-4-2-1-3-5-19/h1-7,14,17-18,24H,8-13,15-16H2,(H,30,33,34)
Standard InChI Key: JBOVQDNYVQUHTJ-UHFFFAOYSA-N
Associated Targets(Human)
DNA-binding protein Ikaros 184 Activities
Eukaryotic peptide chain release factor GTP-binding subunit ERF3A 99 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 500.62 | Molecular Weight (Monoisotopic): 500.1882 | AlogP: 3.95 | #Rotatable Bonds: 5 |
| Polar Surface Area: 82.61 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.61 | CX Basic pKa: 7.48 | CX LogP: 3.10 | CX LogD: 2.75 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.54 | Np Likeness Score: -0.85 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):