Compound Detail
CHEMBL232148
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Basic Information
| ChEMBL ID | CHEMBL232148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNPRTUHVCHGFHJ-GHXNOFRVSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.92
ALogP
6
HBA
2
HBD
119.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.62
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 6.62 | 6.62 | 237.2 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.48 | 4.48 | 33379.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 237.15 | nM | 6.62 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of CDK2 | 17570665 |
| Zinc finger protein mex-5 | EC50 | = | 33379.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17570665 | 10.1016/j.bmcl.2007.04.110 | Cyclin-dependent kinase 2 | 1 |
| 17570665 | 10.1016/j.bmcl.2007.04.110 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine