Compound Detail
CHEMBL1667936
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Nc1nccn2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1F)nc2[C@H]1CC[C@H](CO)CC1
Basic Information
| ChEMBL ID | CHEMBL1667936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBVAFYOHTCCGQW-IRJFHVNHSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
5.60
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 100.0 | ng.hr.mL-1 | Mus musculus |
| CL | 197.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 110.0 | nM | Mus musculus |
| F | 23.0 | % | 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 human IGF1R expressed in mouse 3T3 cells by ELISA based assay | 21251824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21251824 | 10.1016/j.bmcl.2010.12.094 | Mus musculus | 5 |
| 21251824 | 10.1016/j.bmcl.2010.12.094 | ADMET | 2 |
| 21251824 | 10.1016/j.bmcl.2010.12.094 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine