Compound Detail
CHEMBL4792251
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Cc1c(Cc2ccc(OC(F)(F)F)cc2)c(=O)oc2cc(OCC(O)CN3CCC(C(N)=O)CC3)ccc12
Basic Information
| ChEMBL ID | CHEMBL4792251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZHFBYJXKDDCIX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
3.53
ALogP
7
HBA
2
HBD
115.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.1733 | 500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of envelope glycoprotein in HIV pseudotyped Zaire Ebolavirus infected... | 32707357 |
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Antiviral activity against pseudotyped Ebola virus assessed as inhibition of vir... | 35872393 |
| Unchecked | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of envelope glycoprotein in HIV pseudotyped Marburgvirus infected in ... | 32707357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32707357 | 10.1016/j.ejmech.2020.112595 | Unchecked | 9 |
| 32707357 | 10.1016/j.ejmech.2020.112595 | A549 | 1 |
| 35872393 | 10.1016/j.ejmech.2022.114608 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine