Compound Detail
CHEMBL3793211
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
CC(C)C/C=C1\O[C@H]2C[C@@H](C)C/C(=N\OC(=O)Nc3ccccc3)[C@H]2[C@@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL3793211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFYNBXNVBIPYLI-NYGXFAEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.72
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of pig gastric H+/K+-ATPase in stomach ion leaky membrane vesicle ass... | 27013393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27013393 | 10.1016/j.bmcl.2016.03.051 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine