Compound Detail
CHEMBL3919459
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 | CHEMBL3919459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWYBHCVXZFMJHV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.71
ALogP
8
HBA
1
HBD
75.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Heat shock factor protein 1 CHEMBL5869 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.19 | 6.19 | 643.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of recombinant full-length human C-terminal His6-tagged CDK9/full-len... | 27746890 |
| Heat shock factor protein 1 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of 17AAG-induced HSF1-mediated HSP72 expression in human U2OS cells p... | 27746890 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 643.0 | nM | 6.19 | Inhibition of recombinant full-length human C-terminal His6-tagged CDK2/recombin... | 27746890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27746890 | 10.1039/C6MD00159A | Heat shock factor protein 1 | 1 |
| 27746890 | 10.1039/C6MD00159A | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 27746890 | 10.1039/C6MD00159A | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine