Compound Detail
CHEMBL5569495
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Basic Information
| ChEMBL ID | CHEMBL5569495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVZJFCNYSSUDCU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.9
MW (Da)
3.16
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Casein kinase I isoform alpha CHEMBL2793 | Kd | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | Kd | = | 4.0 | nM | 8.4 | Binding affinity to CDK9 (unknown origin) assessed as dissociation constant | 38564299 |
| Casein kinase I isoform alpha | Kd | = | 5.3 | nM | 8.28 | Binding affinity to CK1alpha (unknown origin) assessed as dissociation constant | 38564299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Casein kinase I isoform alpha | 1 |
| 38564299 | 10.1021/acs.jmedchem.4c00312 | Cyclin-dependent kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine