| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5088556
Max Phase: Preclinical
Molecular Formula: C29H35N3O3
Molecular Weight: 473.62
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1cccc(CN2CCC(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)c1
Standard InChI: InChI=1S/C29H35N3O3/c1-29(2,3)23-6-4-5-19(15-23)17-31-13-11-20(12-14-31)21-7-8-24-22(16-21)18-32(28(24)35)25-9-10-26(33)30-27(25)34/h4-8,15-16,20,25H,9-14,17-18H2,1-3H3,(H,30,33,34)
Standard InChI Key: UPIXBQZVTHSFRC-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: 473.62 | Molecular Weight (Monoisotopic): 473.2678 | AlogP: 4.12 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.72 | Molecular Species: BASE | 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: 8.95 | CX LogP: 3.88 | CX LogD: 2.32 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.68 | Np Likeness Score: -0.49 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):