Compound Detail
CHEMBL4778138
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Basic Information
| ChEMBL ID | CHEMBL4778138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRXRILQXCURKRN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
202.3
MW (Da)
2.12
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of wild type recombinant HIV-1 subtype B BH10 p66/p51 reverse transcr... | 31893549 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of HIV1 reverse transcriptase | 34998058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31893549 | 10.1016/j.ejmech.2019.111987 | Unchecked | 7 |
| 34998058 | 10.1016/j.ejmech.2021.114085 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 31893549 | 10.1016/j.ejmech.2019.111987 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine