Compound Detail
CHEMBL392581
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 | CHEMBL392581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYEVGINFXPAHTL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
4.30
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastric gland CHEMBL613448 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastric gland | IC50 | = | 398.11 | nM | 6.4 | Inhibition of acid secretion in rabbit intact gastric glands assessed as [14C]di... | 17975907 |
| Unchecked | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of H+/K+ ATPase in hog gastric mucosa | 17975907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17975907 | 10.1021/jm7010063 | No relevant target | 2 |
| 17975907 | 10.1021/jm7010063 | Unchecked | 1 |
| 17975907 | 10.1021/jm7010063 | Gastric gland | 1 |
| 17975907 | 10.1021/jm7010063 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine