Compound Detail
CHEMBL1829118
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(CCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3cccc(C)c3)CC2)c(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL1829118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGZZNFJMCZDTRQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
604.7
MW (Da)
3.09
ALogP
9
HBA
4
HBD
151.5
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 CHEMBL2577 | IC50 | 6.81 | 6.81 | 154.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 1 | IC50 | = | 154.0 | nM | 6.81 | Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced ... | 21724305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21724305 | 10.1016/j.ejmech.2011.06.011 | Sodium/hydrogen exchanger 1 | 1 |
Data from ChEMBL 36 via Core Engine