Compound Detail
CHEMBL585013
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 | CHEMBL585013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXNYCYFIOHHPHP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
2.16
ALogP
6
HBA
3
HBD
61.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.4 | 8.4 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 20043638 |
| Human immunodeficiency virus 1 | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against HIV1 assessed as inhibition of virus induced cytopath... | 29500940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20043638 | 10.1021/jm901530b | Human immunodeficiency virus 1 | 1 |
| 20043638 | 10.1021/jm901530b | MT4 | 1 |
| 29500940 | 10.1016/j.ejmech.2018.02.043 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine