Compound Detail
CHEMBL4211907
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 | CHEMBL4211907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAIANVFPDPKFTL-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.93
ALogP
6
HBA
1
HBD
81.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.03
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.03 | 7.03 | 94.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 6.8 | 6.71 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 91.0 | nM | 7.04 | Inhibition of recombinant wild-type HIV-1 3B reverse transcriptase p66/p51 RNA-d... | 29291935 |
| Human immunodeficiency virus 1 | EC50 | = | 94.0 | nM | 7.03 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as reduc... | 29291935 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 160.0 | nM | 6.8 | Inhibition of reverse transcriptase E138K mutant in HIV1 infected in human MT4 c... | 29291935 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 240.0 | nM | 6.62 | Inhibition of reverse transcriptase L100I mutant in HIV1 infected in human MT4 c... | 29291935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29291935 | 10.1016/j.bmc.2017.12.033 | Human immunodeficiency virus type 1 reverse transcriptase | 8 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | Human immunodeficiency virus 1 | 1 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | MT4 | 1 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | Unchecked | 1 |
| 29291935 | 10.1016/j.bmc.2017.12.033 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine