Compound Detail
CHEMBL4077931
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 | CHEMBL4077931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTBUCBOROGHGGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.3
MW (Da)
4.29
ALogP
4
HBA
2
HBD
80.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of CDK2/cyclin A (unknown origin) using histone H1 as substrate after... | 29144137 |
| CDK9/cyclin T1 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of CDK9/cyclin T (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as su... | 29144137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29144137 | 10.1021/acs.jmedchem.7b00663 | CDK2/Cyclin A2 | 2 |
| 29144137 | 10.1021/acs.jmedchem.7b00663 | CDK9/cyclin T1 | 2 |
Data from ChEMBL 36 via Core Engine