Compound Detail
CHEMBL5175287
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 | CHEMBL5175287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHFOYKQPCGEDNI-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
3.28
ALogP
5
HBA
1
HBD
82.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.94
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.94 | 5.16 | 1140.0 | 4 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.88 | 4.88 | 13078.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1140.0 | nM | 5.94 | Antiviral activity against NNRTI resistant wild type HIV-1 infected in human MT4... | 35679690 |
| Human immunodeficiency virus 1 | EC50 | = | 1560.0 | nM | 5.81 | Antiviral activity against drug-resistant HIV-1 E138K mutant infected in human M... | 35679690 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 13078.0 | nM | 4.88 | Inhibition of recombinant wild-type p66/p51 HIV-1 reverse transcriptase incubate... | 35679690 |
| Human immunodeficiency virus 1 | EC50 | = | 23800.0 | nM | 4.62 | Antiviral activity against drug-resistant HIV-1 L100I mutant infected in human M... | 35679690 |
| Human immunodeficiency virus 1 | EC50 | = | 53570.0 | nM | 4.27 | Antiviral activity against drug-resistant HIV-1 K103 N mutant infected in human ... | 35679690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35679690 | 10.1016/j.ejmech.2022.114512 | Human immunodeficiency virus 1 | 6 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | Unchecked | 5 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | MT4 | 1 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | ADMET | 1 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine