Compound Detail
CHEMBL122264
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL122264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWWRLKIBRPJQJX-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names
Molecular Properties
323.4
MW (Da)
4.06
ALogP
5
HBA
2
HBD
75.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| CDK2/Bovine cyclin A CHEMBL4106153 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 970.0 | nM | 6.01 | Inhibition of cyclin-dependent kinase 2-cyclin A3 (CDK2) | 15239650 |
| Unchecked | IC50 | = | 970.0 | nM | 6.01 | Inhibition of CDK2/cyclin A3 (unknown origin) | 24304238 |
| CDK2/Bovine cyclin A | IC50 | = | 970.0 | nM | 6.01 | Inhibition of human GST-tagged CDK2/bovine His-tagged Cyclin A | 28005359 |
| Cyclin-dependent kinase 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human Thr160-phospho CDK2/CyclinA | 19358610 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity against cyclin-dependent kinase 1-cyclin B. | 15239650 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of CDK1/Cyclin B (unknown origin) | 24304238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239650 | 10.1021/jm0311442 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15239650 | 10.1021/jm0311442 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 19358610 | 10.1021/jm9000133 | Cyclin-dependent kinase 2 | 1 |
| 24304238 | 10.1021/jm401555v | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 24304238 | 10.1021/jm401555v | Unchecked | 1 |
| 28005359 | 10.1021/acs.jmedchem.6b01254 | CDK2/Bovine cyclin A | 1 |
Data from ChEMBL 36 via Core Engine