| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5086132
Max Phase: Preclinical
Molecular Formula: C28H29N5O3
Molecular Weight: 483.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4CCN(Cc5nc(-c6ccccc6)c[nH]5)CC4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C28H29N5O3/c34-26-9-8-24(27(35)31-26)33-16-21-14-20(6-7-22(21)28(33)36)18-10-12-32(13-11-18)17-25-29-15-23(30-25)19-4-2-1-3-5-19/h1-7,14-15,18,24H,8-13,16-17H2,(H,29,30)(H,31,34,35)
Standard InChI Key: HVYCCKBFDVHSHR-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: 483.57 | Molecular Weight (Monoisotopic): 483.2270 | AlogP: 3.22 | #Rotatable Bonds: 5 |
| Polar Surface Area: 98.40 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.59 | CX Basic pKa: 7.27 | CX LogP: 2.32 | CX LogD: 2.08 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.54 | Np Likeness Score: -0.44 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):