Compound Detail
CHEMBL4562323
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Basic Information
| ChEMBL ID | CHEMBL4562323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSGRZENCFIIHNV-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
3.18
ALogP
9
HBA
2
HBD
94.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.89
EC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 CHEMBL3055 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 5.77 | 5.77 | 1711.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 7 | IC50 | = | 0.13 | nM | 9.89 | Inhibition of CDK7 (unknown origin) | 31514062 |
| Cyclin-dependent kinase 2 | IC50 | = | 6.4 | nM | 8.19 | Inhibition of CDK2 (unknown origin) | 31514062 |
| Human betaherpesvirus 5 | EC50 | = | 24.0 | nM | 7.62 | Antiviral activity against HCMV | 33539089 |
| Cyclin-dependent kinase 1 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of CDK1 (unknown origin) | 31514062 |
| Cyclin-dependent kinase 9 | IC50 | = | 1711.0 | nM | 5.77 | Inhibition of CDK9 (unknown origin) | 31514062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Cyclin-dependent kinase 7 | 2 |
| 31514062 | 10.1016/j.ejmech.2019.111641 | Cyclin-dependent kinase 7 | 1 |
| 31514062 | 10.1016/j.ejmech.2019.111641 | Cyclin-dependent kinase 1 | 1 |
| 31514062 | 10.1016/j.ejmech.2019.111641 | Cyclin-dependent kinase 2 | 1 |
| 31514062 | 10.1016/j.ejmech.2019.111641 | Cyclin-dependent kinase 4 | 1 |
| 31514062 | 10.1016/j.ejmech.2019.111641 | Cyclin-dependent kinase 6 | 1 |
| 31514062 | 10.1016/j.ejmech.2019.111641 | Cyclin-dependent kinase 9 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Human betaherpesvirus 5 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | HFF | 1 |
Data from ChEMBL 36 via Core Engine