| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5072327
Max Phase: Preclinical
Molecular Formula: C27H32N4O5S
Molecular Weight: 524.64
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C)S(=O)(=O)c1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c1
Standard InChI: InChI=1S/C27H32N4O5S/c1-29(2)37(35,36)22-5-3-4-18(14-22)16-30-12-10-19(11-13-30)20-6-7-23-21(15-20)17-31(27(23)34)24-8-9-25(32)28-26(24)33/h3-7,14-15,19,24H,8-13,16-17H2,1-2H3,(H,28,32,33)
Standard InChI Key: WWEJTDIMOQEDOI-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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 524.64 | Molecular Weight (Monoisotopic): 524.2093 | AlogP: 2.08 | #Rotatable Bonds: 6 |
| Polar Surface Area: 107.10 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.61 | CX Basic pKa: 7.46 | CX LogP: 1.39 | CX LogD: 1.05 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.58 | Np Likeness Score: -0.88 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):