Compound Detail
CHEMBL4765079
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Basic Information
| ChEMBL ID | CHEMBL4765079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRFNXJNNHKTTHP-LSDHHAIUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.9
MW (Da)
3.68
ALogP
5
HBA
2
HBD
88.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 750.0 | nM | 6.12 | Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 ... | 33306391 |
| Cyclin-dependent kinase 9 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of CDK9 in human MCF7 cells assessed as reduction in RNA Polymerase 2... | 33306391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33306391 | 10.1021/acs.jmedchem.0c01754 | No relevant target | 2 |
| 33306391 | 10.1021/acs.jmedchem.0c01754 | CDK9/cyclin T1 | 1 |
| 33306391 | 10.1021/acs.jmedchem.0c01754 | Cyclin-dependent kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine