Compound Detail
CHEMBL90801
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
Basic Information
| ChEMBL ID | CHEMBL90801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORQJLQMPGWPWEP-YFKPBYRVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
337.7
MW (Da)
-0.13
ALogP
8
HBA
4
HBD
156.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 50000.0 | nM | 4.3 | Tested in vitro against human immunodeficiency virus (HIV) infected CEM cells us... | 8410987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410987 | 10.1021/jm00071a003 | CCRF-CEM | 2 |
| 8410987 | 10.1021/jm00071a003 | Human betaherpesvirus 5 | 2 |
| 8410987 | 10.1021/jm00071a003 | Human alphaherpesvirus 2 | 2 |
| 8410987 | 10.1021/jm00071a003 | Human immunodeficiency virus 1 | 1 |
| 8410987 | 10.1021/jm00071a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine