Compound Detail
CHEMBL88844
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[S+]([O-])c1ccc(-c2cc(-c3ccnc4ccccc34)c(-c3ccc(F)cc3)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL88844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICGLLKHAGNAOKI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
6.44
ALogP
2
HBA
1
HBD
51.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL4825 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 114.0 | nM | 6.94 | Inhibitory potency evaluated against rat p38 kinase | 9873604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873604 | 10.1016/s0960-894x(98)00495-8 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine