Compound Detail
CHEMBL4782863
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(Cc2ccc(OC(F)(F)F)cc2)c(=O)oc2cc(OCC(CNCCc3ccccc3)Oc3ccccc3)ccc12
Basic Information
| ChEMBL ID | CHEMBL4782863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBZCFOJSTAHPOK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
603.6
MW (Da)
7.25
ALogP
6
HBA
1
HBD
69.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.68 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of envelope glycoprotein in HIV pseudotyped Marburgvirus infected in ... | 32707357 |
| Unchecked | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of envelope glycoprotein in HIV pseudotyped Zaire Ebolavirus infected... | 32707357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32707357 | 10.1016/j.ejmech.2020.112595 | Unchecked | 4 |
| 32707357 | 10.1016/j.ejmech.2020.112595 | A549 | 1 |
Data from ChEMBL 36 via Core Engine