Compound Detail
CHEMBL204234
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Basic Information
| ChEMBL ID | CHEMBL204234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMHKYOIGRHFJBP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
1.84
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2781 | IC50 | 4.14 | 4.14 | 72380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 72380.0 | nM | 4.14 | Inhibition of platelet NHE1 in human platelet rich plasma assessed as decrease i... | 27750152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Bacillus subtilis | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Escherichia coli | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Pseudomonas fluorescens | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Xanthomonas campestris | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Xanthomonas oryzae | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Aspergillus niger | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Aspergillus flavus | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Fusarium oxysporum | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Trichoderma | 1 |
| 16298529 | 10.1016/j.bmcl.2005.10.084 | Fusarium verticillioides | 1 |
| 27750152 | 10.1016/j.ejmech.2016.10.005 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine