Compound Detail
CHEMBL5590688
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Basic Information
| ChEMBL ID | CHEMBL5590688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKLKAOAZHFERJC-QAQDUYKDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
449.0
MW (Da)
4.79
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 7.6 | 7.6 | 25.3 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.63 | 6.63 | 234.6 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.24 | 6.24 | 572.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 | IC50 | = | 25.28 | nM | 7.6 | Inhibition of CDK7 (unknown origin) using ULight 4EBP1 peptide as substrate incu... | 39140066 |
| MV4-11 | IC50 | = | 234.6 | nM | 6.63 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 39140066 |
| Cyclin-dependent kinase 9 | IC50 | = | 572.7 | nM | 6.24 | 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 |
| 39140066 | 10.1021/acsmedchemlett.4c00040 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine