Compound Detail
CHEMBL610200
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 | CHEMBL610200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAEBYYZZAGMFCM-KPKJPENVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.56
ALogP
3
HBA
2
HBD
79.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.44 | 5.2867 | 3600.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.68 | 4.68 | 20730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 3600.0 | nM | 5.44 | Antiviral activity against HIV1 3B in human MT2 cells assessed as inhibition of ... | 19932616 |
| Human immunodeficiency virus 1 | IC50 | = | 4910.0 | nM | 5.31 | Antiviral activity against HIV1 3B in human MT2 cells assessed as inhibition of ... | 19932616 |
| Human immunodeficiency virus 1 | IC50 | = | 7710.0 | nM | 5.11 | Antiviral activity against HIV1 3B in human MT2 cells assessed as reduction of v... | 19932616 |
| Unchecked | IC50 | = | 20730.0 | nM | 4.68 | Inhibition of HIV1 3B gp41 six-helix bundle formation after 30 mins by native-po... | 19932616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19932616 | 10.1016/j.bmcl.2009.10.139 | Human immunodeficiency virus 1 | 3 |
| 19932616 | 10.1016/j.bmcl.2009.10.139 | Unchecked | 2 |
| 19932616 | 10.1016/j.bmcl.2009.10.139 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine