Compound Detail
CHEMBL5594311
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Basic Information
| ChEMBL ID | CHEMBL5594311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNTUBDONIDTFGB-SHTZXODSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.08
ALogP
7
HBA
3
HBD
110.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.41 | 5.41 | 3920.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 5.22 | 5.22 | 5993.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 | IC50 | = | 3920.0 | nM | 5.41 | Inhibition of CDK7 (unknown origin) using ULight 4EBP1 peptide as substrate incu... | 39140066 |
| Cyclin-dependent kinase 9 | IC50 | = | 5993.5 | nM | 5.22 | Inhibition of CDK9 (unknown origin) using ULight 4EBP1 peptide as substrate incu... | 39140066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39140066 | 10.1021/acsmedchemlett.4c00040 | Cyclin-dependent kinase 7 | 1 |
| 39140066 | 10.1021/acsmedchemlett.4c00040 | Cyclin-dependent kinase 9 | 1 |
| 39140066 | 10.1021/acsmedchemlett.4c00040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine