Compound Detail
CHEMBL34184
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
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL34184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSNCPAJGYPDDEK-OQKWZONESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.11
ALogP
9
HBA
3
HBD
182.3
PSA (Ų)
0.15
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| COS-7 CHEMBL614564 | IC50 | 6.52 | 6.52 | 300.0 | 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 | = | 8.0 | nM | 8.1 | Inhibitory potency against mitogen activated protein kinase kinase 1 | 15006386 |
| COS-7 | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration against AP-1 transcription in COS-7 cells | 15006386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006386 | 10.1016/j.bmcl.2004.01.012 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 15006386 | 10.1016/j.bmcl.2004.01.012 | COS-7 | 1 |
Data from ChEMBL 36 via Core Engine