Compound Detail
CHEMBL1773516
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
C[C@@H](Nc1cc(-c2[nH]c([S+](C)[O-])nc2-c2ccc(F)cc2)ccn1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1773516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDYVDKCSGKMMHS-BBUZXQMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
5.19
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.68 | 6.68 | 207.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 207.0 | nM | 6.68 | Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of... | 21449619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21449619 | 10.1021/jm101623p | Mitogen-activated protein kinase 14 | 3 |
Data from ChEMBL 36 via Core Engine