Compound Detail
CHEMBL4764938
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Basic Information
| ChEMBL ID | CHEMBL4764938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEMVWIFBROQSEE-UONOGXRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.9
MW (Da)
3.08
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK9/cyclin T1 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 ... | 33306391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33306391 | 10.1021/acs.jmedchem.0c01754 | No relevant target | 2 |
| 33306391 | 10.1021/acs.jmedchem.0c01754 | CDK9/cyclin T1 | 1 |
| 33306391 | 10.1021/acs.jmedchem.0c01754 | Cyclin-dependent kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine