Compound Detail
CHEMBL3969412
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Basic Information
| ChEMBL ID | CHEMBL3969412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEBNOAWQIVZRLB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.89
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 29800.0 | nM | 4.53 | Inhibition of recombinant full-length human C-terminal His6-tagged CDK2/recombin... | 27746890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27746890 | 10.1039/C6MD00159A | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 27746890 | 10.1039/C6MD00159A | Heat shock factor protein 1 | 1 |
Data from ChEMBL 36 via Core Engine