Compound Detail
CHEMBL2089202
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COC(=O)C(c1ccc(Cl)cc1)N1C(=O)c2cccc(OC)c2NC(=S)C1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL2089202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNXXHZFPVSIOQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
515.4
MW (Da)
5.85
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 5.09 | 5.09 | 8180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 8180.0 | nM | 5.09 | Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 ... | 22940704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22940704 | 10.1016/j.ejmech.2012.08.003 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | SAOS-2 | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | U2OS | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | A549 | 1 |
| 22940704 | 10.1016/j.ejmech.2012.08.003 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine