Compound Detail
CHEMBL333804
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 | CHEMBL333804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSFYKAIYDUFTNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
-0.77
ALogP
4
HBA
3
HBD
135.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger CHEMBL2096985 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.98 | 5.98 | 1054.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger | IC50 | = | 70.0 | nM | 7.16 | Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake in... | 9733499 |
| Homo sapiens | IC50 | = | 1054.0 | nM | 5.98 | Concentration to achieve half-maximal inhibition of acid-induced swelling in hum... | 9733499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733499 | 10.1021/jm981031w | Sodium/hydrogen exchanger | 1 |
| 9733499 | 10.1021/jm981031w | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine