Compound Detail
CHEMBL3763936
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Basic Information
| ChEMBL ID | CHEMBL3763936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVHCULKFMKKVRL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
2.75
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 4.74 | 4.72 | 18400.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.32 | 4.32 | 47400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 18400.0 | nM | 4.74 | Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected i... | 26741853 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 19952.62 | nM | 4.7 | Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected i... | 26741853 |
| MCF7 | IC50 | = | 47400.0 | nM | 4.32 | Cytotoxicity against human MCF7 cells assessed as cell viability after 72 hrs by... | 26741853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26741853 | 10.1016/j.ejmech.2015.12.023 | Cyclin-dependent kinase 2/cyclin E1 | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | K562 | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | MCF7 | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | NON-PROTEIN TARGET | 2 |
| 26741853 | 10.1016/j.ejmech.2015.12.023 | G-361 | 1 |
Data from ChEMBL 36 via Core Engine