Compound Detail
CHEMBL168006
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 | CHEMBL168006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRCNLKVXRALXMC-LLVKDONJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.8
MW (Da)
3.15
ALogP
3
HBA
1
HBD
41.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.75 | 6.745 | 180.0 | 2 |
| MT4 CHEMBL388 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 180.0 | nM | 6.75 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 7877143 |
| Human immunodeficiency virus 1 | IC50 | = | 181.97 | nM | 6.74 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
| MT4 | IC50 | = | 4200.0 | nM | 5.38 | Ability to block replication of HIV-1 virus in mock infected MT-4 cells | 1956037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7877143 | 10.1021/jm00005a005 | Human immunodeficiency virus 1 | 1 |
| 1956037 | 10.1021/jm00115a007 | MT4 | 1 |
| 20110136 | 10.1016/j.ejmech.2010.01.002 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine