Compound Detail
CHEMBL561747
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Cl.NC(N)=N/N=C1\c2cc(F)ccc2CC1Sc1nc2cc([N+](=O)[O-])ccc2[nH]1
Basic Information
| ChEMBL ID | CHEMBL561747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFBMHFPXEHUAJE-BUGNPGDCSA-N |
| Parent Compound | CHEMBL1197180 |
| Active Moiety | CHEMBL1197180 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
2.30
ALogP
6
HBA
3
HBD
148.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2577 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swellin... | 19482383 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19482383 | 10.1016/j.ejmech.2009.04.036 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine