Compound Detail
CHEMBL1688359
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C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncnn32)C1
Basic Information
| ChEMBL ID | CHEMBL1688359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FILMJNHPVCSZTN-HMRCJKRNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.22
ALogP
7
HBA
2
HBD
102.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 150.0 | nM | 6.82 | Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cel... | 24900240 |
| Insulin receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of auto-phosphorylation of human IR expressed in human HepG2 cells af... | 24900240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900240 | 10.1021/ml100178g | ADMET | 2 |
| 24900240 | 10.1021/ml100178g | Insulin-like growth factor 1 receptor | 1 |
| 24900240 | 10.1021/ml100178g | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine