Compound Detail
CHEMBL453438
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O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(N4CCC(N5CCCCC5)CC4)cc3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL453438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVKNRLYOPWKSFW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
684.8
MW (Da)
8.19
ALogP
8
HBA
2
HBD
90.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.7 | 7.88 | 2.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Insulin receptor CHEMBL1981 | 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 | = | 2.0 | nM | 8.7 | Inhibition of GST-tagged IGF1R (957-1367) expressed in baculovirus by time-resol... | 19101143 |
| Mitogen-activated protein kinase 14 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of p38alpha | 19101143 |
| Insulin-like growth factor 1 receptor | IC50 | = | 87.0 | nM | 7.06 | Inhibition of human IGF1R autophosphorylation in transfected mouse NIH3T3 cells | 19101143 |
| Insulin receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of insulin-induced human insulin receptor autophosphorylation express... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101143 | 10.1016/j.bmcl.2008.11.058 | Insulin-like growth factor 1 receptor | 2 |
| 19101143 | 10.1016/j.bmcl.2008.11.058 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine