Compound Detail
CHEMBL3604662
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CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)Cc3cccc(F)c3)cc1)C2c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3604662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIUUWNOYXDCTMQ-PVFJFFHYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
573.1
MW (Da)
7.98
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of p53-MDM2 interaction (unknown origin) by TR-FRET assay | 26141769 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26141769 | 10.1016/j.bmcl.2015.06.058 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine