Compound Detail
CHEMBL126216
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Basic Information
| ChEMBL ID | CHEMBL126216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPNNFNAVPNXDGD-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
3.99
ALogP
7
HBA
0
HBD
78.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 1100.0 | nM | 5.96 | Inhibition of reverse transcriptase of HIV-1 (strain RF)-infected MT-4 cells in ... | 7504733 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2600.0 | nM | 5.58 | In vitro inhibitory concentration against reverse transcriptase of HIV-1 (RT) | 7504733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7504733 | 10.1021/jm00076a005 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 7504733 | 10.1021/jm00076a005 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine