Compound Detail
CHEMBL557236
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Basic Information
| ChEMBL ID | CHEMBL557236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQLGITWCPFIIHP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
2.62
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 4.2 | 4.2 | 63470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 63470.0 | nM | 4.2 | Inhibition of platelet NHE1 in human platelet rich plasma assessed as decrease i... | 27750152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18760508 | 10.1016/j.ejmech.2008.07.012 | Trichophyton mentagrophytes | 1 |
| 18760508 | 10.1016/j.ejmech.2008.07.012 | Candida albicans | 1 |
| 18760508 | 10.1016/j.ejmech.2008.07.012 | Trichophyton rubrum | 1 |
| 18760508 | 10.1016/j.ejmech.2008.07.012 | Microsporum canis | 1 |
| 18760508 | 10.1016/j.ejmech.2008.07.012 | Epidermophyton floccosum | 1 |
| 27750152 | 10.1016/j.ejmech.2016.10.005 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine