Compound Detail
CHEMBL357770
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL357770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIDYSPIUVLYIJV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.67
ALogP
6
HBA
3
HBD
108.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.7 | 6.955 | 20.0 | 2 |
| AG1523 CHEMBL614268 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 12.0 | nM | 7.92 | Compound was evaluated for 50% inhibition of Cyclin-dependent kinase 4-cyclin D1 | 12431050 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 18.0 | nM | 7.75 | Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E | 12431050 |
| HCT-116 | IC50 | = | 20.0 | nM | 7.7 | Toxicity tested against transformed human colon cancer cell line (HCT116) | 12431050 |
| HCT-116 | IC50 | = | 622.0 | nM | 6.21 | Effect of serum protein binding on inhibition of transformed cell line(PB HCT116... | 12431050 |
| AG1523 | IC50 | = | 950.0 | nM | 6.02 | Toxicity tested against normal human fibroblast cell line (AG1523) | 12431050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431050 | 10.1021/jm020171+ | HCT-116 | 2 |
| 12431050 | 10.1021/jm020171+ | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 12431050 | 10.1021/jm020171+ | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12431050 | 10.1021/jm020171+ | AG1523 | 1 |
Data from ChEMBL 36 via Core Engine