Compound Detail
CHEMBL5563303
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Basic Information
| ChEMBL ID | CHEMBL5563303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMZLWLKLMRYJFQ-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
5.57
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK12/Cyclin K CHEMBL4106169 | EC50 | 6.74 | 6.74 | 182.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK12/Cyclin K | EC50 | = | 182.0 | nM | 6.74 | Inhibition of 6His-tagged wild type CDK12/cyclin K (unknown origin) infected in ... | 38579492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38579492 | 10.1016/j.bmc.2024.117653 | CDK12/Cyclin K | 1 |
Data from ChEMBL 36 via Core Engine