Compound Detail
CHEMBL447167
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CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1
Basic Information
| ChEMBL ID | CHEMBL447167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHXINQXFXGCUKE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
634.2
MW (Da)
6.90
ALogP
10
HBA
1
HBD
91.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 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 | 7.7167 | 9.0 | 3 |
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 GST-IGF1R | 19041240 |
| Insulin-like growth factor 1 receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of IGF1R by ELISA | 20178321 |
| Insulin-like growth factor 1 receptor | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human placenta cloned IGF1R-mediated mouse FDCP1 myeloid cell prol... | 19041240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19041240 | 10.1016/j.bmcl.2008.11.037 | Insulin-like growth factor 1 receptor | 2 |
| 19041240 | 10.1016/j.bmcl.2008.11.037 | No relevant target | 1 |
| 19041240 | 10.1016/j.bmcl.2008.11.037 | Unchecked | 1 |
| 20178321 | 10.1021/jm901798e | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine