Compound Detail
CHEMBL4081980
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Basic Information
| ChEMBL ID | CHEMBL4081980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPAFTHLQRPYIOZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.03
ALogP
8
HBA
3
HBD
126.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Bovine cyclin A CHEMBL4106153 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Bovine cyclin A | IC50 | = | 6700.0 | nM | 5.17 | 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 |
Data from ChEMBL 36 via Core Engine