Compound Detail
CHEMBL3786567
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
CC1(C)CC[C@@H](COc2cccc(-c3cn([C@H]4C[C@@H](CN5CCC5)C4)c4ncnc(N)c34)c2)O1
Basic Information
| ChEMBL ID | CHEMBL3786567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCTIPSBBPQBXAG-DWLFOUALSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.67
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of IGF-1 receptor (unknown origin) | 26951750 |
| Insulin receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Ins receptor (unknown origin) | 26951750 |
| Ephrin type-B receptor 4 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of EphB4 receptor (unknown origin) | 26951750 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 970.0 | nM | 6.01 | Inhibition of Ret (unknown origin) | 26951750 |
| Tyrosine-protein kinase Lck | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of Lck (unknown origin) | 26951750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Insulin-like growth factor 1 receptor | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Insulin receptor | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Ephrin type-B receptor 4 | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Tyrosine-protein kinase JAK1 | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Vascular endothelial growth factor receptor 2 | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Tyrosine-protein kinase Lck | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Epidermal growth factor receptor | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | No relevant target | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | ADMET | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Cytochrome P450 2D6 | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Cytochrome P450 2C9 | 1 |
| 26951750 | 10.1016/j.bmcl.2016.02.074 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine