ID: ALA5170689
Chembl Id: CHEMBL5170689
PubChem CID: 91799671
Max Phase: Preclinical
Molecular Formula: C14H17NO2Te
Molecular Weight: 358.90
Associated Items:
Canonical SMILES: CC(C)(C)OC(=O)NCc1cc2ccccc2[te]1
Standard InChI: InChI=1S/C14H17NO2Te/c1-14(2,3)17-13(16)15-9-11-8-10-6-4-5-7-12(10)18-11/h4-8H,9H2,1-3H3,(H,15,16)
Standard InChI Key: CEXODHAJHHGWJV-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 358.90 | Molecular Weight (Monoisotopic): 361.0322 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. He X, Zhang H, Zhang Y, Ye Y, Wang S, Bai R, Xie T, Ye XY.. (2022) Drug discovery of histone lysine demethylases (KDMs) inhibitors (progress from 2018 to present)., 231 [PMID:35101649] [10.1016/j.ejmech.2022.114143] |
| 2. Wu Q, Young B, Wang Y, Davidoff AM, Rankovic Z, Yang J.. (2022) Recent Advances with KDM4 Inhibitors and Potential Applications., 65 (14.0): [PMID:35838529] [10.1021/acs.jmedchem.2c00680] |
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