Compound Detail
CHEMBL5937180
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Cc1c(C(=O)C(=O)NC2(c3c[nH]nn3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(F)F)c1F)[C@@H]1CC1C2
Basic Information
| ChEMBL ID | CHEMBL5937180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXSOCXJUUDMOLB-TVKKRMFBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.5
MW (Da)
3.38
ALogP
7
HBA
3
HBD
134.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | EC50 | 8.06 | 8.06 | 8.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic sodium/bile acid cotransporter | EC50 | = | 8.7 | nM | 8.06 | HBV DNA Quantification Assay: A HepG2 cell line overexpressing the HBV virus att... | - |
Data from ChEMBL 36 via Core Engine