Compound Detail
CHEMBL4792839
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
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n2cc(C(=O)N3CCCC3)nc12
Basic Information
| ChEMBL ID | CHEMBL4792839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHCHQSDJGQGHPG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.18
ALogP
9
HBA
2
HBD
107.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK4/Cyclin D3 CHEMBL3038472 | IC50 | 7.23 | 7.025 | 59.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK4/Cyclin D3 | IC50 | = | 59.0 | nM | 7.23 | Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 ... | 32200202 |
| CDK4/Cyclin D3 | IC50 | = | 150.3 | nM | 6.82 | Inhibition of human full-length N-terminal GST tagged CDK6 (1 to 326 residues)/G... | 32200202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32200202 | 10.1016/j.ejmech.2020.112239 | CDK4/Cyclin D3 | 2 |
| 32200202 | 10.1016/j.ejmech.2020.112239 | COLO 205 | 1 |
| 32200202 | 10.1016/j.ejmech.2020.112239 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine