Compound Detail
CHEMBL407632
NUTLIN-2 Enter ChEMBL ID:
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CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CCN(CCO)CC1
Basic Information
| ChEMBL ID | CHEMBL407632 |
| Name | NUTLIN-2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVRYEWOXWGDQHA-URLMMPGGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
686.5
MW (Da)
5.89
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 CHEMBL1907611 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 6.85 | 6.85 | 140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of MDM2 binding to p53 | 22995624 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 140.0 | nM | 6.85 | Binding affinity to MDM2 (unknown origin) expressed in Escherichia coli BL21(DE3... | 22789708 |
| Tumour suppressor p53/oncoprotein Mdm2 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of p53 interaction to MDM2 (unknown origin) by surface plasmon resona... | 24466404 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 140.0 | nM | 6.85 | Binding affinity to MDM2 (unknown origin) | 25396320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23477941 | 10.1016/j.bmc.2012.11.026 | A549 | 8 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | SJSA-1 | 8 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | Molecular identity unknown | 6 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | RKO | 2 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | HepG2 | 2 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | HCT-116 | 2 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | SW480 | 2 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | PC-3 | 2 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | NON-PROTEIN TARGET | 2 |
| 23477941 | 10.1016/j.bmc.2012.11.026 | HeLa | 2 |
| 15999986 | 10.1021/jm058174k | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
| 22995624 | 10.1016/j.bmcl.2012.08.086 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 22789708 | 10.1016/j.bmc.2012.06.020 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 24466404 | 10.1039/c0md00248h | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
| 25396320 | 10.1021/jm501092z | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine