| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5080214
Max Phase: Preclinical
Molecular Formula: C26H27N5O3
Molecular Weight: 457.53
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6cn[nH]c6c5)CC4)ccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C26H27N5O3/c32-24-6-5-23(25(33)28-24)31-15-20-12-18(3-4-21(20)26(31)34)17-7-9-30(10-8-17)14-16-1-2-19-13-27-29-22(19)11-16/h1-4,11-13,17,23H,5-10,14-15H2,(H,27,29)(H,28,32,33)
Standard InChI Key: TXFXBHKVLDLABM-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: 457.53 | Molecular Weight (Monoisotopic): 457.2114 | AlogP: 2.70 | #Rotatable Bonds: 4 |
| Polar Surface Area: 98.40 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.47 | CX Basic pKa: 8.88 | CX LogP: 1.66 | CX LogD: 0.16 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.59 | Np Likeness Score: -0.64 |
References
| 1. (2021) 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof, |
Source
Source(1):