Compound Detail
CHEMBL3932121
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Basic Information
| ChEMBL ID | CHEMBL3932121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGGMDMYBCWDOLZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.37
ALogP
8
HBA
2
HBD
75.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 6.83 | 6.83 | 149.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | Ki | = | 0.4 | nM | 9.4 | Inhibition of recombinant human His-tagged CDK9/cyclin T1 expressed in baculovir... | 27171036 |
| Cyclin-dependent kinase 7 | Ki | = | 2.3 | nM | 8.64 | Inhibition of CDK7 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-... | 27171036 |
| Cyclin-dependent kinase 2 | Ki | = | 149.0 | nM | 6.83 | Inhibition of CDK2 (unknown origin) | 27171036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27171036 | 10.1021/acs.jmedchem.6b00150 | Cyclin-dependent kinase 7 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | CDK9/cyclin T1 | 1 |
| 27171036 | 10.1021/acs.jmedchem.6b00150 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine