Compound Detail
CHEMBL3125707
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@@H](C[C@H](C)O)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3125707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWEGKSSGTVFZQX-NUDAGPPKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
6.08
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 9.15 | 8.67 | 0.7 | 2 |
| SJSA-1 CHEMBL2366298 | IC50 | 6.62 | 6.34 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.7 | nM | 9.15 | Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of int... | 24456472 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 6.5 | nM | 8.19 | Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of int... | 24456472 |
| SJSA-1 | IC50 | = | 240.0 | nM | 6.62 | Antiproliferative activity against human SJSA1 cells assessed as inhibition of E... | 24456472 |
| SJSA-1 | IC50 | = | 880.0 | nM | 6.06 | Antiproliferative activity against human SJSA1 cells assessed as induction of p2... | 24456472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24456472 | 10.1021/jm401753e | SJSA-1 | 2 |
| 24456472 | 10.1021/jm401753e | E3 ubiquitin-protein ligase Mdm2 | 2 |
Data from ChEMBL 36 via Core Engine