Compound Detail
CHEMBL457105
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
COc1cc2c(cc1Nc1nc(N3CCc4ccccc43)c3cc[nH]c3n1)N(C(=O)CN(C)C)CCC2
Basic Information
| ChEMBL ID | CHEMBL457105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWTNLNSSRGFVLD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.25
ALogP
7
HBA
2
HBD
89.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 9.3 | 8.56 | 0.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1000.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 0.5 | nM | 9.3 | Inhibition of IGF1R | 19081716 |
| Insulin-like growth factor 1 receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of IGF1R phosphorylation by cellular assay | 19081716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19081716 | 10.1016/j.bmcl.2008.11.065 | Insulin-like growth factor 1 receptor | 2 |
| 19081716 | 10.1016/j.bmcl.2008.11.065 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine