Compound Detail
CHEMBL4205972
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 | CHEMBL4205972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPVBLNPZTVIGAM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
469.9
MW (Da)
4.56
ALogP
6
HBA
1
HBD
90.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.96 | 5.96 | 1090.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.33 | 4.33 | 47300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1090.0 | nM | 5.96 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as reduc... | 29291935 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 47300.0 | nM | 4.33 | Inhibition of recombinant wild-type HIV-1 3B reverse transcriptase p66/p51 RNA-d... | 29291935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29291935 | 10.1016/j.bmc.2017.12.033 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 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