Compound Detail
CHEMBL4790330
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Basic Information
| ChEMBL ID | CHEMBL4790330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITBMILFXWRILTC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.2
MW (Da)
2.78
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK2/Cyclin A2 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of human N-terminal GST-tagged CDK2 (1 to 298 residues)/Cyclin A (174... | 33550184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33550184 | 10.1016/j.ejmech.2021.113232 | CDK2/Cyclin A2 | 1 |
Data from ChEMBL 36 via Core Engine