Compound Detail
CHEMBL5180658
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
O=Cc1cccc([C@@H]([C@H](Nc2ccccn2)c2ccccc2)[C@@H](O)c2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL5180658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIVVDLOPGBAPFO-NXCFDTQHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.96
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis delta virus CHEMBL4888466 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Hepatic sodium/bile acid cotransporter CHEMBL5287 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis delta virus | IC50 | = | 15000.0 | nM | 4.82 | Antiviral activity against hepatitis D virus infected in human HepG2-hNTCP cells... | 36111355 |
| Hepatic sodium/bile acid cotransporter | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of HBV subgenotype D3 [3H]-myr-preS1 (2 to 48 residues) peptide bindi... | 36111355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36111355 | 10.1021/acs.jmedchem.2c01097 | Hepatic sodium/bile acid cotransporter | 1 |
| 36111355 | 10.1021/acs.jmedchem.2c01097 | Unchecked | 1 |
| 36111355 | 10.1021/acs.jmedchem.2c01097 | Hepatitis delta virus | 1 |
Data from ChEMBL 36 via Core Engine