Compound Detail
CHEMBL5942752
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
CCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)c1ccc(Oc2c(F)cc(/C=C(\C)C(=O)N=C(N)N)cc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL5942752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUZXNLSREFDHRY-SOYKGTTHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
921.0
MW (Da)
-0.67
ALogP
15
HBA
7
HBD
300.1
PSA (Ų)
0.02
QED
3
Ro5 Violations
34
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 316.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 316.0 | nM | 6.5 | Cell-Based Assay of NHE-3 Activity: Rat NHE-3-mediated Na+-dependent H+ antiport... | - |
Data from ChEMBL 36 via Core Engine