Compound Detail
CHEMBL217698
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 | CHEMBL217698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFLBHMYSGGBXPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
4.02
ALogP
5
HBA
1
HBD
66.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 8.19 | 8.19 | 6.5 | 1 |
| Sodium/hydrogen exchanger 2 CHEMBL3133 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 52.0 | % | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 6.5 | nM | 8.19 | Inhibition of human NHE1 expressed in Ap1 cell line | 16870436 |
| Sodium/hydrogen exchanger 2 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human NHE2 expressed in Ap1 cell line | 16870436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870436 | 10.1016/j.bmcl.2006.06.077 | Rattus norvegicus | 2 |
| 16870436 | 10.1016/j.bmcl.2006.06.077 | Sodium/hydrogen exchanger 1 | 1 |
| 16870436 | 10.1016/j.bmcl.2006.06.077 | Sodium/hydrogen exchanger 2 | 1 |
| 16870436 | 10.1016/j.bmcl.2006.06.077 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine