Compound Detail
CHEMBL4760738
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C=CC(=O)NCc1ccc(-c2ccc([C@H](C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cn1
Basic Information
| ChEMBL ID | CHEMBL4760738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGXJEYUKDHAXSS-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.89
ALogP
4
HBA
3
HBD
99.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 CHEMBL1795192 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 5.27 | 5.27 | 5375.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 13 | IC50 | = | 3.8 | nM | 8.42 | Inhibition of kinase tracer 236 binding to CDK13 (unknown origin) by FRET based ... | - |
| Cyclin-dependent kinase 7 | IC50 | = | 5375.0 | nM | 5.27 | Inhibition of CDK7 (unknown origin) assessed as reduction in ATP-dependent phosp... | - |
Data from ChEMBL 36 via Core Engine