Compound Detail
CHEMBL5592926
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N[C@H]1CC[C@H](Nc2ncc(Cl)c(Nc3ccccc3[S+]([O-])c3ccccc3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL5592926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYNILFRIBHUUIC-LEHOHUSHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.0
MW (Da)
4.72
ALogP
6
HBA
3
HBD
98.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.85 | 5.85 | 1406.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 | IC50 | = | 1406.5 | nM | 5.85 | Inhibition of CDK7 (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