Compound Detail
CHEMBL4864763
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 | CHEMBL4864763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAPKVIHHKBGAIH-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.9
MW (Da)
4.87
ALogP
4
HBA
3
HBD
73.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 7.58 | 7.58 | 26.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 26.52 | nM | 7.58 | Inhibition of CDK9/cyclin T1 (unknown origin) incubated for 2 hrs in presence of... | 34477384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34477384 | 10.1021/acs.jmedchem.1c01148 | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine