Compound Detail
CHEMBL4786541
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
CNC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)C(=O)N(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL4786541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBQSFVQAHCXAQH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.5
MW (Da)
-0.02
ALogP
8
HBA
4
HBD
162.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 60.0 | nM | 7.22 | Antiviral activity against wild type HIV1 in presence of 10% FBS | 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