Compound Detail
CHEMBL192976
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Basic Information
| ChEMBL ID | CHEMBL192976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDFKYIMTLCMJNH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.6
MW (Da)
4.75
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.42
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 5.42 | 5.42 | 3790.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 3790.0 | nM | 5.42 | Concentration required to reduce HIV-1-induced cytopathic effect in MT-4 cells | 15857150 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 7500.0 | nM | 5.12 | Concentration required to inhibit in vitro RNA-dependent DNA polymerase activity... | 15857150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857150 | 10.1021/jm049279a | MT4 | 3 |
| 15857150 | 10.1021/jm049279a | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine