Compound Detail
CHEMBL5829613
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Cc1c(C(=O)C(=O)NC2(c3nncs3)CC2)c2n(c1C(=O)Nc1ccc(F)c(F)c1)[C@@H]1C[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL5829613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSYNYKWQZPYCSY-IAQYHMDHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
3.28
ALogP
7
HBA
2
HBD
106.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | EC50 | 7.91 | 7.91 | 12.3 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.91 | 7.91 | 12.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic sodium/bile acid cotransporter | EC50 | = | 12.3 | nM | 7.91 | HBV DNA Quantification Assay: A HepG2 cell line overexpressing the HBV virus att... | - |
| Unchecked | EC50 | = | 12.3 | nM | 7.91 | HBV DNA Quantification Assay: A HepG2 cell line overexpressing the HBV virus att... | - |
Data from ChEMBL 36 via Core Engine