| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4761258
Max Phase: Preclinical
Molecular Formula: C19H15FN2O3S
Molecular Weight: 370.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1CCC(N2Cc3c(Sc4ccc(F)cc4)cccc3C2=O)C(=O)N1
Standard InChI: InChI=1S/C19H15FN2O3S/c20-11-4-6-12(7-5-11)26-16-3-1-2-13-14(16)10-22(19(13)25)15-8-9-17(23)21-18(15)24/h1-7,15H,8-10H2,(H,21,23,24)
Standard InChI Key: XQLVPLNGMAGBIJ-UHFFFAOYSA-N
Associated Targets(Human)
MM1.S 1111 Activities
DNA-binding protein Ikaros 184 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
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: 370.41 | Molecular Weight (Monoisotopic): 370.0787 | AlogP: 2.74 | #Rotatable Bonds: 3 |
| Polar Surface Area: 66.48 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.61 | CX Basic pKa: | CX LogP: 2.45 | CX LogD: 2.45 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.84 | Np Likeness Score: -0.61 |
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):