Compound Detail
CHEMBL4094679
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CNC1CCC(N(Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3c(F)ccc(F)c3c2Cl)CC1
Basic Information
| ChEMBL ID | CHEMBL4094679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXZDWPYJFCAZCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.0
MW (Da)
7.07
ALogP
4
HBA
1
HBD
45.2
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.12 | 7670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7670.0 | nM | 5.12 | Inhibition of Ebolavirus glycoprotein/matrix protein VP40 entry in human HeLa ce... | 29624387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine