Compound Detail
CHEMBL92751
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 | CHEMBL92751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFOZMMQFHBUXQU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205392 |
| Active Moiety | CHEMBL1205392 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
4.05
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.58 | 4.58 | 26040.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.05 | 4.05 | 89600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 26040.0 | nM | 4.58 | Inhibitory effect against HIV-1 in human peripheral blood monocyte cells(PBMC) (... | 1495008 |
| Human immunodeficiency virus 1 | IC50 | = | 89600.0 | nM | 4.05 | Cytotoxic effect in human peripheral blood monocyte cells(PBMC) | 1495008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1495008 | 10.1021/jm00093a005 | MT4 | 3 |
| 1495008 | 10.1021/jm00093a005 | Human immunodeficiency virus 1 | 3 |
Data from ChEMBL 36 via Core Engine