Compound Detail
CHEMBL516816
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(N2CCN(C(C)C)CC2)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL516816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIJVJJGBQDYFNS-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.22
ALogP
8
HBA
4
HBD
124.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 8.4 | 7.575 | 4.0 | 4 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.5 | 5.5 | 3162.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.3 | 5.3 | 5011.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 133.0 | ng.hr/ml/mg/kg | Rattus norvegicus |
| Cmax | 449.29 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of GST-tagged human IGF1R expressed in Sf9 cells by Wallac Victor flu... | 19056263 |
| Insulin-like growth factor 1 receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of IGF-1R | 19071018 |
| Insulin-like growth factor 1 receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibition of human IGF1R phosphorylation expressed in HEK293 cells by DELFIA | 19056263 |
| Insulin-like growth factor 1 receptor | IC50 | = | 201.0 | nM | 6.7 | Inhibition of phospho IGFR1 by cellular assay | 19071018 |
| Mitogen-activated protein kinase 8 | IC50 | = | 3162.0 | nM | 5.5 | Inhibition of His-tagged JNK1 | 19071018 |
| Mitogen-activated protein kinase 10 | IC50 | = | 5011.0 | nM | 5.3 | Inhibition of human His-tagged JNK3 | 19071018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056263 | 10.1016/j.bmcl.2008.11.046 | Insulin-like growth factor 1 receptor | 2 |
| 19071018 | 10.1016/j.bmcl.2008.11.077 | Insulin-like growth factor 1 receptor | 2 |
| 19071018 | 10.1016/j.bmcl.2008.11.077 | Rattus norvegicus | 2 |
| 19071018 | 10.1016/j.bmcl.2008.11.077 | Mitogen-activated protein kinase 8 | 1 |
| 19071018 | 10.1016/j.bmcl.2008.11.077 | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine