Compound Detail
CHEMBL4072216
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Basic Information
| ChEMBL ID | CHEMBL4072216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKLNEFKYZSUDLY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
1.89
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Bovine cyclin A CHEMBL4106153 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Bovine cyclin A | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A | 28005359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28005359 | 10.1021/acs.jmedchem.6b01254 | CDK2/Bovine cyclin A | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | Unchecked | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | Cyclin-dependent kinase 7/ cyclin H | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | Cyclin-dependent kinase 5 | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine