Compound Detail
CHEMBL4800324
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Basic Information
| ChEMBL ID | CHEMBL4800324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXVKNJWYFKQBNZ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
4.27
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Kd 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 CHEMBL1795192 | IC50 | 7.72 | 7.72 | 19.0 | 2 |
| Cyclin-dependent kinase 12 CHEMBL3559692 | Kd | 7.6 | 7.4 | 25.0 | 2 |
| Cyclin-dependent kinase 12 CHEMBL3559692 | IC50 | 6.42 | 6.42 | 380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 | IC50 | = | 19.0 | nM | 7.72 | Binding affinity to CDK13 (unknown origin) by TR-FRET assay | - |
| Cyclin-dependent kinase 13 | IC50 | = | 19.0 | nM | 7.72 | Biochemical Assay for CDK13: LanthaScreen Eu Kinase Binding Assays are based on ... | - |
| Cyclin-dependent kinase 12 | Kd | = | 25.0 | nM | 7.6 | Binding affinity to DNA-tagged CDK-12 expressed in HEK293 cells (unknown origin)... | - |
| Cyclin-dependent kinase 12 | Kd | = | 63.0 | nM | 7.2 | Biochemical Assay for CDK12 (Kd Determination): Kinase-tagged T7 phage strains w... | - |
| Cyclin-dependent kinase 12 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of CDK12 (unknown origin) using ULight - 4E - BP1( Thr37 / Thr46 ) as... | - |
| Cyclin-dependent kinase 12 | IC50 | = | 380.0 | nM | 6.42 | Biochemical Assay for CDK12 (IC50 Determination): The inhibitory activity of the... | - |
Data from ChEMBL 36 via Core Engine