Compound Detail
CHEMBL463932
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COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2ccc(F)c(F)c2C(N)=O)c2cc[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL463932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYJJQYYMVLXSDU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.36
ALogP
8
HBA
4
HBD
124.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.89 | 8.15 | 1.3 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 17.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of GST-tagged human IGF1R expressed in Sf9 cells by Wallac Victor flu... | 19056263 |
| Insulin-like growth factor 1 receptor | IC50 | = | 1.3 | nM | 8.89 | Inhibition of IGF1R | 19081716 |
| Insulin-like growth factor 1 receptor | IC50 | = | 213.0 | nM | 6.67 | Inhibition of human IGF1R phosphorylation expressed in HEK293 cells by DELFIA | 19056263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Insulin-like growth factor 1 receptor | 2 |
| 19081716 | 10.1016/j.bmcl.2008.11.065 | No relevant target | 1 |
| 19081716 | 10.1016/j.bmcl.2008.11.065 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine