Compound Detail
CHEMBL142271
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 | CHEMBL142271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTTFXJJRPYVIDP-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.77
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.33
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.27 | 5.27 | 5330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4700.0 | nM | 5.33 | Effective concentration required for 50% protection of MT-4 cells against the cy... | 1469700 |
| Human immunodeficiency virus 1 | IC50 | = | 5330.0 | nM | 5.27 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 24657566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469700 | 10.1021/jm00103a009 | Human immunodeficiency virus 1 | 1 |
| 1469700 | 10.1021/jm00103a009 | NON-PROTEIN TARGET | 1 |
| 1469700 | 10.1021/jm00103a009 | MT4 | 1 |
| 24657566 | 10.1016/j.ejmech.2014.03.013 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine