| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4793744
Max Phase: Preclinical
Molecular Formula: C20H18N2O4S
Molecular Weight: 382.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1Sc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
Standard InChI: InChI=1S/C20H18N2O4S/c1-26-15-6-2-3-7-17(15)27-16-8-4-5-12-13(16)11-22(20(12)25)14-9-10-18(23)21-19(14)24/h2-8,14H,9-11H2,1H3,(H,21,23,24)
Standard InChI Key: ALXRJGQYOAICBX-UHFFFAOYSA-N
Associated Targets(Human)
MM1.S 1111 Activities
DNA-binding protein Ikaros 184 Activities
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Zinc finger protein Aiolos 4 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: 382.44 | Molecular Weight (Monoisotopic): 382.0987 | AlogP: 2.61 | #Rotatable Bonds: 4 |
| Polar Surface Area: 75.71 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.61 | CX Basic pKa: | CX LogP: 2.15 | CX LogD: 2.15 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.82 | Np Likeness Score: -0.10 |
References
| 1. Wang Y,Mi T,Li Y,Kan W,Xu G,Li J,Zhou Y,Li J,Jiang X. (2021) Design, synthesis and biological evaluation of thioether-containing lenalidomide and pomalidomide derivatives with anti-multiple myeloma activity., 209 [PMID:33328101] [10.1016/j.ejmech.2020.112912] |
Source
Source(1):