Compound Detail
CHEMBL1222791
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O=C(Nc1ccc(F)nc1)[C@@H]1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
Basic Information
| ChEMBL ID | CHEMBL1222791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXSZHKDAZDOAIT-HZPDHXFCSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
4.13
ALogP
7
HBA
3
HBD
112.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.01 | 6.9575 | 9.7 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 9.7 | nM | 8.01 | Inhibition of IGF1R | 20675137 |
| Insulin-like growth factor 1 receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of IGF1R | 20675137 |
| Insulin-like growth factor 1 receptor | IC50 | = | 206.0 | nM | 6.69 | Inhibition of IGF1R in IGF1R-SAL cells | 20675137 |
| Insulin-like growth factor 1 receptor | IC50 | = | 389.0 | nM | 6.41 | Inhibition of IGF1R in IGF1R-SAL cells | 20675137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20675137 | 10.1016/j.bmcl.2010.07.045 | Insulin-like growth factor 1 receptor | 4 |
| 20675137 | 10.1016/j.bmcl.2010.07.045 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine