Compound Detail
CHEMBL338099
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Basic Information
| ChEMBL ID | CHEMBL338099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOUDUHWREIAEKP-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
4.60
ALogP
6
HBA
0
HBD
65.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.22
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| C8166 CHEMBL614533 | EC50 | 9.22 | 8.76 | 0.6 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.72 | 5.72 | 1900.0 | 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 | = | 0.6 | nM | 9.22 | Inhibition of syncytia formation in infected C8166-cells | 7504733 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 0.6 | nM | 9.22 | In vitro inhibitory concentration against reverse transcriptase of HIV-1 (RT) | 7504733 |
| C8166 | EC50 | = | 5.0 | nM | 8.3 | Inhibition of p24 antigen formation in infected C8166-cells | 7504733 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 10.0 | nM | 8.0 | Inhibition of reverse transcriptase of HIV-1 (strain RF)-infected MT-4 cells in ... | 7504733 |
| Human immunodeficiency virus 1 | EC50 | = | 1900.0 | nM | 5.72 | Inhibition of HIV-1 (strain A17)-infected MT-4 cells | 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 |
| 7504733 | 10.1021/jm00076a005 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine