Compound Detail
CHEMBL1783854
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(CN2CCN(C(C)c3ccc(C(=O)N=C(N)N)cc3[N+](=O)[O-])CC2)c(OC)c1OC.Cl
Basic Information
| ChEMBL ID | CHEMBL1783854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADAJDGVTRXJNFH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789710 |
| Active Moiety | CHEMBL1789710 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
1.91
ALogP
8
HBA
2
HBD
158.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2577 | IC50 | 7.73 | 7.73 | 18.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 18.7 | nM | 7.73 | 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