Compound Detail
CHEMBL6059881
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
Cc1c(C(=O)C(=O)NC2(c3c[nH]nn3)CC2)c2n(c1C(=O)Nc1ccc(F)c(Cl)c1)CCC2
Basic Information
| ChEMBL ID | CHEMBL6059881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWJXXUUCIZDGGH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.9
MW (Da)
2.89
ALogP
6
HBA
3
HBD
121.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | EC50 | 7.96 | 7.96 | 11.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic sodium/bile acid cotransporter | EC50 | = | 11.1 | nM | 7.96 | HBV DNA Quantification Assay: A HepG2 cell line overexpressing the HBV virus att... | - |
Data from ChEMBL 36 via Core Engine