Compound Detail
CHEMBL1783830
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COc1ccc(CN2CCN(Cc3ccc(C(=O)N=C(N)N)cc3S(N)(=O)=O)CC2)c(OC)c1OC.Cl
Basic Information
| ChEMBL ID | CHEMBL1783830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTSTWEOLUSYYSC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789625 |
| Active Moiety | CHEMBL1789625 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
0.09
ALogP
8
HBA
3
HBD
175.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2577 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 11.5 | nM | 7.94 | Inhibition of NHE1-mediated rat platelet swelling | 19433354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19433354 | 10.1016/j.bmcl.2009.04.079 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine