Compound Detail
CHEMBL3601316
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)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)Cc3ccncc3)cc1)C2c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL3601316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNOXGLRIZIHGIA-LWMFVPLKSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
556.1
MW (Da)
7.24
ALogP
5
HBA
0
HBD
54.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 8.08 | 8.08 | 8.4 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 4.71 | 4.71 | 19320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of MDM2/p53 interaction (unknown origin) using biotinylated MDM2 and ... | 26181851 |
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of p53-MDM2 interaction (unknown origin) by TR-FRET assay | 26141769 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 8.4 | nM | 8.08 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| Protein Mdm4 | IC50 | = | 19320.0 | nM | 4.71 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26181851 | 10.1021/acs.jmedchem.5b00810 | SJSA-1 | 1 |
| 26181851 | 10.1021/acs.jmedchem.5b00810 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
| 26141769 | 10.1016/j.bmcl.2015.06.058 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine