Compound Detail
CHEMBL73751
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 | CHEMBL73751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYGQMQPINIGYEV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
3.84
ALogP
2
HBA
3
HBD
77.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.66 | 7.55 | 22.0 | 2 |
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.84 | 5.84 | 1430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 22.0 | nM | 7.66 | Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 in enzymatic ass... | 12824014 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 36.0 | nM | 7.44 | Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 in enzymatic ass... | 12824014 |
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 64.0 | nM | 7.19 | Inhibitory activity against Cyclin E-cyclin-dependent kinase 2 in enzymatic assa... | 12824014 |
| HCT-116 | IC50 | = | 1440.0 | nM | 5.84 | In vitro antiproliferative activity against human carcinoma cell line HCT116 (co... | 12824014 |
| NCI-H460 | IC50 | = | 1430.0 | nM | 5.84 | In vitro antiproliferative activity against human carcinoma cell line H460 (lung... | 12824014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12824014 | 10.1016/s0960-894x(03)00461-x | Cyclin-dependent kinase 4/cyclin D1 | 2 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | cAMP-dependent protein kinase (PKA) | 1 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | HCT-116 | 1 |
| 12824014 | 10.1016/s0960-894x(03)00461-x | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine