Compound Detail
CHEMBL5194833
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Basic Information
| ChEMBL ID | CHEMBL5194833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXVLTDGQDFESCZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
4.74
ALogP
7
HBA
3
HBD
105.4
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
| CDK12/Cyclin K CHEMBL4106169 | IC50 | 6.52 | 6.52 | 304.0 | 1 |
| Cyclin-dependent kinase 13/Cyclin-K CHEMBL4296067 | IC50 | 6.48 | 6.48 | 334.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of His-tagged CDK2/cyclin E1 (unknown origin) expressed in Sf9 cells ... | 35749742 |
| CDK9/cyclin T1 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of GST-tagged human CDK9/Cyclin T1 expressed in Sf9 cells using (YSPT... | 35749742 |
| Unchecked | IC50 | = | 127.0 | nM | 6.9 | Inhibition of GST-tagged human CDK5/p25 expressed in Sf9 cells using histone H1 ... | 35749742 |
| CDK12/Cyclin K | IC50 | = | 304.0 | nM | 6.52 | Inhibition of GST-tagged human CDK12/Cyclin K expressed in Sf9 cells using RBER-... | 35749742 |
| Cyclin-dependent kinase 13/Cyclin-K | IC50 | = | 334.0 | nM | 6.48 | Inhibition of GST-tagged human CDK13/Cyclin K expressed in Sf9 cells using RBER-... | 35749742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35749742 | 10.1021/acs.jmedchem.1c02184 | Unchecked | 5 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | NU-DUL-1 | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | DB | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | OCI-LY19 | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | U2932 | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | SUD4 | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | Cyclin-dependent kinase 2/G1/S-specific cyclin-D1 | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | CDK9/cyclin T1 | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | CDK12/Cyclin K | 1 |
| 35749742 | 10.1021/acs.jmedchem.1c02184 | Cyclin-dependent kinase 13/Cyclin-K | 1 |
Data from ChEMBL 36 via Core Engine