Compound Detail
CHEMBL463116
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COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(CCN(C)C)CC2
Basic Information
| ChEMBL ID | CHEMBL463116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMLNDVFPCGBFGS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.62
ALogP
8
HBA
4
HBD
124.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.4 | 6.75 | 40.0 | 2 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of IGF-1R | 19071018 |
| Mitogen-activated protein kinase 8 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of His-tagged JNK1 | 19071018 |
| Insulin-like growth factor 1 receptor | IC50 | = | 794.0 | nM | 6.1 | Inhibition of phospho IGFR1 by cellular assay | 19071018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19071018 | 10.1016/j.bmcl.2008.11.077 | Insulin-like growth factor 1 receptor | 2 |
| 19071018 | 10.1016/j.bmcl.2008.11.077 | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine