Compound Detail
CHEMBL323515
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
Basic Information
| ChEMBL ID | CHEMBL323515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHAJJCOJWJKFSB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
549.1
MW (Da)
6.26
ALogP
9
HBA
1
HBD
88.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibitory concentration against Mitogen activated protein kinase kinase kinase ... | 12941327 |
| LoVo | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration against LoVo cell proliferation, was determined using C... | 12941327 |
| Insulin-like growth factor 1 receptor | IC50 | = | 88.0 | nM | 7.06 | Inhibition of GST-IGF1R | 19041240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | LoVo | 1 |
| 12941327 | 10.1016/s0960-894x(03)00640-1 | Caco-2 | 1 |
| 19041240 | 10.1016/j.bmcl.2008.11.037 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine