Compound Detail
CHEMBL3236356
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)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(Cc2ccc(C(=O)O)cn2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3236356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNBIDSMJDDJULQ-JCUDBWTNSA-N |
2
Targets
4
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
657.7
MW (Da)
7.38
ALogP
5
HBA
1
HBD
104.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 10.0 | 9.1333 | 0.1 | 3 |
| SJSA-1 CHEMBL2366298 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.833 | mL.min-1.kg-1 | Mus musculus |
| F | 60.0 | % | Mus musculus |
| T1/2 | 1.8 | hr | Rattus norvegicus |
| T1/2 | 2.8 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.1 | nM | 10.0 | Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Esche... | 24601644 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.8 | nM | 9.1 | Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Esche... | 24601644 |
| SJSA-1 | IC50 | = | 5.0 | nM | 8.3 | Cytotoxicity against human SJSA1 cells assessed as growth inhibition after 16 hr... | 24601644 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 5.0 | nM | 8.3 | Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 expre... | 24601644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24601644 | 10.1021/jm401911v | Mus musculus | 4 |
| 24601644 | 10.1021/jm401911v | E3 ubiquitin-protein ligase Mdm2 | 3 |
| 24601644 | 10.1021/jm401911v | Rattus norvegicus | 3 |
| 24601644 | 10.1021/jm401911v | SJSA-1 | 1 |
| 24601644 | 10.1021/jm401911v | Cytochrome P450 3A4 | 1 |
| 24601644 | 10.1021/jm401911v | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine