Compound Detail
CHEMBL231212
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Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4ccc(F)c(Cl)c4)cc[nH]c3=O)nc12
Basic Information
| ChEMBL ID | CHEMBL231212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJEARTUSVWKEAS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.9
MW (Da)
4.35
ALogP
6
HBA
4
HBD
111.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.8 | 6.46 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibition of IGF1R | 17187980 |
| Insulin-like growth factor 1 receptor | IC50 | = | 760.0 | nM | 6.12 | Inhibition of IGF1R expressed in Sal cells | 17187980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17187980 | 10.1016/j.bmcl.2006.11.041 | Insulin-like growth factor 1 receptor | 2 |
Data from ChEMBL 36 via Core Engine