Compound Detail
CHEMBL3786091
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 | CHEMBL3786091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVODMOAKIUXEHE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
5.99
ALogP
8
HBA
2
HBD
130.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.14 | 7.14 | 72.7 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.96 | 6.31 | 110.0 | 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 | = | 72.7 | nM | 7.14 | Inhibition of wild type HIV1 Reverse transcriptase assessed as reduction of biot... | 26994843 |
| Human immunodeficiency virus 1 | EC50 | = | 110.0 | nM | 6.96 | Antiviral activity against wild type HIV1 3B infected in human MT4 cells assesse... | 26994843 |
| Human immunodeficiency virus 1 | EC50 | = | 2180.0 | nM | 5.66 | Antiviral activity against HIV1 RES056 harboring reverse transcriptase K103N/YI8... | 26994843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26994843 | 10.1016/j.ejmech.2016.02.068 | Unchecked | 3 |
| 26994843 | 10.1016/j.ejmech.2016.02.068 | Human immunodeficiency virus 1 | 3 |
| 26994843 | 10.1016/j.ejmech.2016.02.068 | MT4 | 1 |
| 26994843 | 10.1016/j.ejmech.2016.02.068 | Human immunodeficiency virus 2 | 1 |
| 26994843 | 10.1016/j.ejmech.2016.02.068 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine