Compound Detail
CHEMBL4744182
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
CN(CC(F)(F)F)C(=O)CNC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O
Basic Information
| ChEMBL ID | CHEMBL4744182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFOWGAYIRVGPNM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
2.03
ALogP
7
HBA
3
HBD
116.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 9.52 | 8.91 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 0.3 | nM | 9.52 | Antiviral activity against wild type HIV1 in presence of 10% FBS | 32389483 |
| Human immunodeficiency virus 1 | EC50 | = | 5.0 | nM | 8.3 | Antiviral activity against HIV1 harboring G140S/Q148H double mutant in presence ... | 32389483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32389483 | 10.1016/j.bmc.2020.115541 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine