Compound Detail
CHEMBL39097
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 | CHEMBL39097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUONTIGZNJVBHV-ORRXZRLISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
4.19
ALogP
3
HBA
1
HBD
51.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| V-type proton ATPase subunit S1 CHEMBL4790 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| V-type proton ATPase subunit S1 | IC50 | = | 1900.0 | nM | 5.72 | Compound was tested for inhibition of V-ATPase from Chicken osteoclasts (cOc) | 9572882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572882 | 10.1021/jm9800144 | V-type proton ATPase subunit S1 | 1 |
Data from ChEMBL 36 via Core Engine