Compound Detail
CHEMBL4086204
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Cl.NNC(=O)CCCCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL4086204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZRGHNINMDPQCB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4117399 |
| Active Moiety | CHEMBL4117399 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
664.6
MW (Da)
8.46
ALogP
6
HBA
3
HBD
115.0
PSA (Ų)
0.03
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 98.0 | nM | 7.01 | Binding affinity to human N-terminal MDM2 (1 to 118 residues) expressed in Esche... | 28482147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28482147 | 10.1021/acs.jmedchem.7b00104 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 28482147 | 10.1021/acs.jmedchem.7b00104 | Protein Mdm4 | 1 |
Data from ChEMBL 36 via Core Engine