Compound Detail
CHEMBL3291188
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Basic Information
| ChEMBL ID | CHEMBL3291188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSFPDVKGKWUQCA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
5.30
ALogP
3
HBA
1
HBD
45.8
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.27 | 7.27 | 54.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 54.0 | nM | 7.27 | Antiviral activity against wild type HIV-1 NL4-3 infected in human MT4 cells ass... | 24933420 |
| Human immunodeficiency virus 1 | EC50 | = | 54.0 | nM | 7.27 | Antiviral activity against wild type HIV 1 NL4-3 infected in human MT4 cells ass... | 30525601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30525601 | 10.1021/acs.jmedchem.8b01238 | Human immunodeficiency virus 1 | 6 |
| 24933420 | 10.1021/jm500284x | Unchecked | 4 |
| 24933420 | 10.1021/jm500284x | Human immunodeficiency virus 1 | 4 |
| 24933420 | 10.1021/jm500284x | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | Unchecked | 3 |
| 24933420 | 10.1021/jm500284x | MT4 | 1 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | MT4 | 1 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine