Compound Detail
CHEMBL3402654
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 | CHEMBL3402654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDZOUSULXZNDJH-LSDHHAIUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
4.42
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | EC50 | = | 2.0 | nM | 8.7 | Activation of recombinant human GPR55 expressed in HEK293 cells assessed as incr... | 32804502 |
| Neutrophil | IC50 | = | 33.0 | nM | 7.48 | Inhibition of human neutrophil migration incubated for 30 mins prior to fMLP cha... | 25703248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25703248 | 10.1016/j.bmc.2015.01.059 | Neutrophil | 1 |
| 32804502 | 10.1021/acs.jmedchem.0c00724 | G-protein coupled receptor 55 | 1 |
Data from ChEMBL 36 via Core Engine