Compound Detail
CHEMBL482088
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COCCOC1CCN(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL482088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCNLJCSEDBMGNF-RUZDIDTESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.1
MW (Da)
4.66
ALogP
7
HBA
4
HBD
115.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL5381 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of CYP3A4 | 18572407 |
| Insulin-like growth factor 1 receptor | IC50 | = | 99.0 | nM | 7.0 | Inhibition of IGF1R in mouse SAL cells assessed as thymidine incorporation | 18572407 |
| Insulin-like growth factor 1 receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of IGF1R | 18572407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18572407 | 10.1016/j.bmcl.2008.05.104 | Insulin-like growth factor 1 receptor | 2 |
| 18572407 | 10.1016/j.bmcl.2008.05.104 | Cytochrome P450 3A4 | 1 |
| 18572407 | 10.1016/j.bmcl.2008.05.104 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine