Compound Detail
CHEMBL488038
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 | CHEMBL488038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVSWNXLIYSBIJV-OWCLPIDISA-N |
3
Targets
3
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
3.24
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.35
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.0 | hr | - |
| T1/2 | 0.08333 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 2 | EC50 | = | 4500.0 | nM | 5.35 | Antiviral activity against HIV2 ROD in CEM/0 cells assessed as inhibition of vir... | 18556209 |
| Human immunodeficiency virus 1 | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against HIV1 3B in CEM/0 cells assessed as inhibition of viru... | 18556209 |
| NON-PROTEIN TARGET | IC50 | = | 26000.0 | nM | 4.58 | Cytotoxicity against human Molt4/C8 | 18556209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556209 | 10.1016/j.bmc.2008.05.065 | Human immunodeficiency virus 2 | 2 |
| 18556209 | 10.1016/j.bmc.2008.05.065 | No relevant target | 2 |
| 18556209 | 10.1016/j.bmc.2008.05.065 | ADMET | 1 |
| 18556209 | 10.1016/j.bmc.2008.05.065 | Human immunodeficiency virus 1 | 1 |
| 18556209 | 10.1016/j.bmc.2008.05.065 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine