Compound Detail
CHEMBL400727
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Nc1ncnc2c1c(-c1ccc3[nH]c(Cc4ccc(Cl)cc4)nc3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL400727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQSMUUSDDPDZSM-HZCBDIJESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
543.1
MW (Da)
5.01
ALogP
8
HBA
2
HBD
110.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.2 | 6.195 | 637.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 637.0 | nM | 6.2 | Inhibition IGF1R phosphorylation in human MiaPaCa2 cells | 17689078 |
| Insulin-like growth factor 1 receptor | IC50 | = | 642.0 | nM | 6.19 | Inhibition of human IGF1R expressed in Sf21 cells by time-resolved fluorescence ... | 17689078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17689078 | 10.1016/j.bmcl.2007.07.037 | Insulin-like growth factor 1 receptor | 2 |
Data from ChEMBL 36 via Core Engine