Compound Detail
CHEMBL3310183
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COc1cc(NC(=O)[C@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@@H]2c2cccc(Cl)c2F)ccc1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3310183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLKNOEDGVNGHHQ-JXFSROLISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
614.5
MW (Da)
6.23
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 5.51 | 5.47 | 3089.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 3089.0 | nM | 5.51 | Inhibition of p53-MDM2 (unknown origin) interaction using 0.02% BSA buffer after... | 24997575 |
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 3741.0 | nM | 5.43 | Inhibition of p53-MDM2 (unknown origin) interaction using 0.2% BSA buffer after ... | 24997575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24997575 | 10.1016/j.bmc.2014.05.072 | Tumour suppressor p53/oncoprotein Mdm2 | 2 |
Data from ChEMBL 36 via Core Engine