Compound Detail
CHEMBL193701
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Basic Information
| ChEMBL ID | CHEMBL193701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDFOUBOXXTXZKK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181854 |
| Active Moiety | CHEMBL1181854 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.8
MW (Da)
3.98
ALogP
3
HBA
3
HBD
79.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory concentration against human sodium/hydrogen exchanger (NHE-1) in PS12... | 15914000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15914000 | 10.1016/j.bmcl.2005.04.046 | Rattus norvegicus | 4 |
| 15914000 | 10.1016/j.bmcl.2005.04.046 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine