Compound Detail
CHEMBL5420867
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Basic Information
| ChEMBL ID | CHEMBL5420867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYYZTTPXKIYERF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
3.33
ALogP
7
HBA
5
HBD
116.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 13/Cyclin-K CHEMBL4296067 | IC50 | 6.81 | 6.81 | 154.5 | 1 |
| CDK12/Cyclin K CHEMBL4106169 | IC50 | 6.58 | 6.58 | 260.4 | 1 |
| BT-474 CHEMBL614529 | IC50 | 5.04 | 5.04 | 9110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 13/Cyclin-K | IC50 | = | 154.5 | nM | 6.81 | Inhibition of CDK13/Cyclin K (unknown origin) preincubated for 10 mins followed ... | 36827953 |
| CDK12/Cyclin K | IC50 | = | 260.4 | nM | 6.58 | Inhibition of CDK12/Cyclin K (unknown origin) preincubated for 10 mins followed ... | 36827953 |
| BT-474 | IC50 | = | 9110.0 | nM | 5.04 | Cytotoxicity against human BT-474 cells incubated for 48 hrs by CCK-8 reagent mi... | 36827953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36827953 | 10.1016/j.ejmech.2023.115199 | CDK12/Cyclin K | 1 |
| 36827953 | 10.1016/j.ejmech.2023.115199 | Cyclin-dependent kinase 13/Cyclin-K | 1 |
| 36827953 | 10.1016/j.ejmech.2023.115199 | BT-474 | 1 |
Data from ChEMBL 36 via Core Engine