Compound Detail
CHEMBL59785
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Basic Information
| ChEMBL ID | CHEMBL59785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAMWYYXJYIQOQL-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
404.2
MW (Da)
4.60
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CaM kinase II CHEMBL2097164 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 6.99 | 6.99 | 103.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CaM kinase II | IC50 | = | 58.0 | nM | 7.24 | Inhibitory activity against Calcium/calmodulin-dependent protein kinase type II ... | 12747775 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 80.0 | nM | 7.1 | Inhibitory activity against Cyclin-dependent kinase 4-cyclin D1 using Rb21 as su... | 12747775 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 103.0 | nM | 6.99 | Inhibitory activity against Protein kinase A using histone as substrate | 12747775 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 220.0 | nM | 6.66 | Inhibitory activity against Cyclin-dependent kinase 2-cyclin E using Rb21 as sub... | 12747775 |
| HCT-116 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of cell growth of HCT116 tumor cell lines | 12747775 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against Cyclin-dependent kinase 1-cyclin B using histone as ... | 12747775 |
| NCI-H460 | IC50 | = | 710.0 | nM | 6.15 | Inhibition of cell growth of NCI-H460 tumor cell lines | 12747775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 4 | 2 |
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12747775 | 10.1021/jm0256169 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 12747775 | 10.1021/jm0256169 | CaM kinase II | 1 |
| 12747775 | 10.1021/jm0256169 | cAMP-dependent protein kinase (PKA) | 1 |
| 12747775 | 10.1021/jm0256169 | HCT-116 | 1 |
| 12747775 | 10.1021/jm0256169 | NCI-H460 | 1 |
| 12747775 | 10.1021/jm0256169 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine