Compound Detail
CHEMBL1801951
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 | CHEMBL1801951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFIUAGOQGGAREU-XZUJVHTDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
1.82
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Splenocyte CHEMBL612422 | IC50 | 5.19 | 5.16 | 6400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 7 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of TAK1 (unknown origin) | 26481152 |
| Splenocyte | IC50 | = | 6400.0 | nM | 5.19 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as inhibition of... | 33544615 |
| Splenocyte | IC50 | = | 7400.0 | nM | 5.13 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as inhibition of... | 33544615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33544615 | 10.1021/acs.jnatprod.0c01344 | T-cell | 6 |
| 33544615 | 10.1021/acs.jnatprod.0c01344 | Splenocyte | 3 |
| 21513293 | 10.1021/np200062x | MCF7 | 1 |
| 21513293 | 10.1021/np200062x | NCI-H460 | 1 |
| 21513293 | 10.1021/np200062x | SF-268 | 1 |
| 21513293 | 10.1021/np200062x | HT-29 | 1 |
| 21513293 | 10.1021/np200062x | MDA-MB-435 | 1 |
| 21513293 | 10.1021/np200062x | Transcription factor p65 | 1 |
| 21513293 | 10.1021/np200062x | Escherichia coli | 1 |
| 21513293 | 10.1021/np200062x | Staphylococcus aureus | 1 |
| 21513293 | 10.1021/np200062x | Mycolicibacterium smegmatis | 1 |
| 21513293 | 10.1021/np200062x | Bacillus subtilis | 1 |
| 26481152 | 10.1016/j.bmc.2015.09.037 | Mitogen-activated protein kinase kinase kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine