Compound Detail
CHEMBL1688361
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Nc1ncnn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1F)nc2[C@H]1C[C@@H](N2CCN(C=O)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL1688361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVHNKGKLBRLAOO-OYRHEFFESA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
3.75
ALogP
8
HBA
1
HBD
105.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 3100.0 | nM | Mus musculus |
| F | 18.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 8.0 | nM | 8.1 | Inhibition of auto-phosphorylation of human IGF1R expressed in mouse NIH-3T3 cel... | 24900240 |
| Insulin receptor | IC50 | = | 48.0 | nM | 7.32 | 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 | 4 |
| 24900240 | 10.1021/ml100178g | Mus musculus | 4 |
| 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