Compound Detail
CHEMBL1809191
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Basic Information
| ChEMBL ID | CHEMBL1809191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCEAKNFETFDIHE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.20
ALogP
7
HBA
1
HBD
78.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of CDK2 | 21775140 |
| Insulin-like growth factor 1 receptor | IC50 | = | 270.0 | nM | 6.57 | Inhibition of IGF1R | 21775140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 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