Compound Detail
CHEMBL125446
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Basic Information
| ChEMBL ID | CHEMBL125446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCEGBPPZJJCOLK-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.20
ALogP
5
HBA
0
HBD
52.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.3
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C8166 CHEMBL614533 | EC50 | 8.3 | 8.225 | 5.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| MT4 CHEMBL388 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C8166 | EC50 | = | 5.0 | nM | 8.3 | Inhibition of p24 antigen formation in infected C8166-cells | 7504733 |
| C8166 | EC50 | = | 7.0 | nM | 8.15 | Inhibition of syncytia formation in infected C8166-cells | 7504733 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 20.0 | nM | 7.7 | Inhibition of reverse transcriptase of HIV-1 (strain RF)-infected MT-4 cells in ... | 7504733 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 80.0 | nM | 7.1 | In vitro inhibitory concentration against reverse transcriptase of HIV-1 (RT) | 7504733 |
| MT4 | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of growth in uninfected MT-4 cells in MTM assay | 7504733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7504733 | 10.1021/jm00076a005 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 7504733 | 10.1021/jm00076a005 | C8166 | 2 |
| 7504733 | 10.1021/jm00076a005 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine