Compound Detail
CHEMBL3329620
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3329620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAKOCZVLYDLEAG-KJXAQDMKSA-N |
3
Targets
7
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
5.94
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 8.22 | 7.6775 | 6.0 | 4 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 8.22 | 7.87 | 6.0 | 2 |
| SJSA-1 CHEMBL2366298 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 17.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 17.17 | mL.min-1.kg-1 | Mus musculus |
| CL | 17.33 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 32.0 | % | Mus musculus |
| F | 48.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147610 | 10.1021/ml500142b | SJSA-1 | 7 |
| 25147610 | 10.1021/ml500142b | Mus musculus | 4 |
| 25147610 | 10.1021/ml500142b | Rattus norvegicus | 3 |
| 25147610 | 10.1021/ml500142b | Tumour suppressor p53/oncoprotein Mdm2 | 2 |
| 25147610 | 10.1021/ml500142b | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine