Compound Detail
CHEMBL370283
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Basic Information
| ChEMBL ID | CHEMBL370283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTSZMJKDZCBEGX-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
375.7
MW (Da)
4.10
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.68 | 5.68 | 2100.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| AG1523 CHEMBL614268 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 360.0 | nM | 6.44 | Inhibition of Cyclin-dependent kinase 2-cyclin E | 15537345 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Cyclin-dependent kinase 4-cyclin D1 | 15537345 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Cyclin-dependent kinase 4/cyclin D1 | 15537345 |
| HCT-116 | IC50 | = | 2500.0 | nM | 5.6 | Concentration required for growth inhibition of human colon carcinoma cell line ... | 15537345 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of Cyclin-dependent kinase 1-cyclin B | 15537345 |
| AG1523 | IC50 | = | 9200.0 | nM | 5.04 | Concentration required for growth inhibition of human fibroblast cell line Ag 15... | 15537345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 4/cyclin D1 | 2 |
| 15537345 | 10.1021/jm020455u | Unchecked | 1 |
| 15537345 | 10.1021/jm020455u | Tyrosine-protein kinase ABL1 | 1 |
| 15537345 | 10.1021/jm020455u | Protein kinase C (PKC) | 1 |
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 2/cyclin E | 1 |
| 15537345 | 10.1021/jm020455u | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15537345 | 10.1021/jm020455u | HCT-116 | 1 |
| 15537345 | 10.1021/jm020455u | AG1523 | 1 |
Data from ChEMBL 36 via Core Engine