Compound Detail
CHEMBL3655772
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CC[C@H](Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL3655772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFCGHMHGBHKLKH-OCCSQVGLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.00
ALogP
8
HBA
3
HBD
100.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 40.0 | nM | 7.4 | Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... | - |
| Cyclin-dependent kinase 9 | IC50 | = | 250.0 | nM | 6.6 | Kinase Assay: To evaluate the in-vitro kinase potency of the compounds, they wer... | - |
Data from ChEMBL 36 via Core Engine