Compound Detail
CHEMBL4641351
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Basic Information
| ChEMBL ID | CHEMBL4641351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKKBWFDITHTKEW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
4.07
ALogP
7
HBA
2
HBD
69.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 7.8 | 7.8 | 15.7 | 1 |
| CDK9/Cyclin K CHEMBL3038475 | IC50 | 6.82 | 6.82 | 152.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK6/cyclin D3 | IC50 | = | 15.7 | nM | 7.8 | Inhibition of recombinant human full-length N-terminal His-tagged CDK6/cyclinD3 ... | 32129996 |
| CDK9/Cyclin K | IC50 | = | 152.0 | nM | 6.82 | Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK e... | 32129996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32129996 | 10.1021/acs.jmedchem.9b02121 | CDK6/cyclin D3 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | CDK9/Cyclin K | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | CDK2/Cyclin A2 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | MDA-MB-231 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | Jurkat | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | MCF7 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | L02 | 1 |
| 32129996 | 10.1021/acs.jmedchem.9b02121 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine