Compound Detail
CHEMBL1078991
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
Cc1cc(N2CC[C@H](N)C2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
Basic Information
| ChEMBL ID | CHEMBL1078991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPKNHWRWDNDLPC-LAUBAEHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.0
MW (Da)
3.56
ALogP
6
HBA
5
HBD
123.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 42.0 | nM | 7.38 | Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus ... | 20153189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Insulin-like growth factor 1 receptor | 1 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 20153189 | 10.1016/j.bmcl.2010.01.087 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine