Compound Detail
CHEMBL4800122
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Basic Information
| ChEMBL ID | CHEMBL4800122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSBGARFTIZDELR-HNNXBMFYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.92
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 CHEMBL1795192 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Cyclin-dependent kinase 12 CHEMBL3559692 | IC50 | 6.82 | 6.82 | 151.0 | 2 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.55 | 5.55 | 2830.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 | IC50 | = | 7.0 | nM | 8.15 | Binding affinity to CDK13 (unknown origin) by TR-FRET assay | - |
| Cyclin-dependent kinase 13 | IC50 | = | 7.0 | nM | 8.15 | Biochemical Assay for CDK13: LanthaScreen Eu Kinase Binding Assays are based on ... | - |
| Cyclin-dependent kinase 12 | IC50 | = | 151.0 | nM | 6.82 | Inhibition of CDK12 (unknown origin) using ULight - 4E - BP1( Thr37 / Thr46 ) as... | - |
| Cyclin-dependent kinase 12 | IC50 | = | 151.0 | nM | 6.82 | Biochemical Assay for CDK12 (IC50 Determination): The inhibitory activity of the... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 2830.0 | nM | 5.55 | Inhibition of CDK7 (unknown origin) using ULight -mylein basic protein as substr... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 2830.0 | nM | 5.55 | Biochemical Assay for CDK7: The inhibitory activity of the test compounds was as... | - |
Data from ChEMBL 36 via Core Engine