Compound Detail
CHEMBL3655765
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Basic Information
| ChEMBL ID | CHEMBL3655765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXJKCQVESZBNDC-CJNGLKHVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
3.73
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.7 | 7.31 | 20.0 | 2 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 20.0 | nM | 7.7 | Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 80.0 | nM | 7.1 | Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... | - |
| Cyclin-dependent kinase 2 | IC50 | = | 120.0 | nM | 6.92 | Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... | - |
Data from ChEMBL 36 via Core Engine