Compound Detail
CHEMBL4863726
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Basic Information
| ChEMBL ID | CHEMBL4863726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPMINUZUMUXWKI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.04
ALogP
5
HBA
3
HBD
86.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.28 | 7.28 | 52.9 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 6.49 | 6.49 | 322.1 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 6.19 | 6.19 | 643.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 52.86 | nM | 7.28 | Inhibition of CDK2 (unknown origin) | 34477384 |
| Cyclin-dependent kinase 7 | IC50 | = | 322.15 | nM | 6.49 | Inhibition of CDK7 (unknown origin) | 34477384 |
| CDK9/cyclin T1 | IC50 | = | 642.95 | nM | 6.19 | Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of... | 34477384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34477384 | 10.1021/acs.jmedchem.1c01148 | CDK9/cyclin T1 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 2 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 4 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 6 | 1 |
| 34477384 | 10.1021/acs.jmedchem.1c01148 | Cyclin-dependent kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine