Compound Detail
CHEMBL437584
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccccc1Cc1nc2ccc(-c3nn([C@H]4CC[C@H](N5CCOCC5)CC4)c4ncnc(N)c34)cc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL437584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YETDQFJRLHRQJD-HZCBDIJESA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
538.7
MW (Da)
4.37
ALogP
9
HBA
2
HBD
120.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.09 | 7.01 | 81.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of ErbB2 by time resolved fluorescence assay | 19217287 |
| Epidermal growth factor receptor | IC50 | = | 58.0 | nM | 7.24 | Inhibition of EGFR L858R mutant by time resolved fluorescence assay | 19217287 |
| Insulin-like growth factor 1 receptor | IC50 | = | 81.0 | nM | 7.09 | Inhibition of human IGF1R expressed in Sf21 cells by time-resolved fluorescence ... | 17689078 |
| Insulin-like growth factor 1 receptor | IC50 | = | 81.0 | nM | 7.09 | Inhibition of IGF1R by time resolved fluorescence assay | 19217287 |
| Insulin-like growth factor 1 receptor | IC50 | = | 142.0 | nM | 6.85 | Inhibition IGF1R phosphorylation in human MiaPaCa2 cells | 17689078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17689078 | 10.1016/j.bmcl.2007.07.037 | Insulin-like growth factor 1 receptor | 2 |
| 19217287 | 10.1016/j.bmcl.2009.01.086 | Insulin-like growth factor 1 receptor | 1 |
| 19217287 | 10.1016/j.bmcl.2009.01.086 | Epidermal growth factor receptor | 1 |
| 19217287 | 10.1016/j.bmcl.2009.01.086 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine