Compound Detail
CHEMBL1979539
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COc1cccc(/C=N/NC(=O)c2[nH]c(C)c(C(=O)N/N=C/c3cccc(OC)c3)c2C)c1
Basic Information
| ChEMBL ID | CHEMBL1979539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYJYHWXNINGPAF-BKHCZYBLSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.18
ALogP
6
HBA
3
HBD
117.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
EC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 5.21 | 5.21 | 6150.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 4.97 | 4.97 | 10615.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11857.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 1410.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 6150.0 | nM | 5.21 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
| H9c2 | IC50 | = | 10615.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 11857.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine