Compound Detail
CHEMBL73303
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Basic Information
| ChEMBL ID | CHEMBL73303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKORVPQBJCGYEC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.18
ALogP
7
HBA
2
HBD
115.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 9.0 | 8.85 | 1.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.001 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of CDK2 | 21775140 |
| Cyclin-dependent kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of CDK2 | 18815031 |
| MCF7 | IC50 | = | 260.0 | nM | 6.58 | Antiproliferative activity against human MCF7 cells assessed as BrdU incorporati... | 18815031 |
| Insulin-like growth factor 1 receptor | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of IGF1R | 21775140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18815031 | 10.1016/j.bmcl.2008.09.024 | No relevant target | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 15081017 | 10.1016/j.bmcl.2004.02.015 | Cyclin-dependent kinase 2 | 1 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | Cyclin-dependent kinase 2 | 1 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | Serum | 1 |
| 18815031 | 10.1016/j.bmcl.2008.09.024 | MCF7 | 1 |
| 21775140 | 10.1016/j.bmcl.2011.06.093 | Unchecked | 1 |
| 21775140 | 10.1016/j.bmcl.2011.06.093 | Insulin-like growth factor 1 receptor | 1 |
| 21775140 | 10.1016/j.bmcl.2011.06.093 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine