Compound Detail
CHEMBL5183658
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Basic Information
| ChEMBL ID | CHEMBL5183658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSNHBSJAARBXKK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
401.8
MW (Da)
4.91
ALogP
4
HBA
1
HBD
69.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.38
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.45 | 5.45 | 3519.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.38 | 5.17 | 4170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3519.0 | nM | 5.45 | Inhibition of recombinant wild-type p66/p51 HIV-1 reverse transcriptase incubate... | 35679690 |
| Human immunodeficiency virus 1 | EC50 | = | 4170.0 | nM | 5.38 | Antiviral activity against NNRTI resistant wild type HIV-1 infected in human MT4... | 35679690 |
| Human immunodeficiency virus 1 | EC50 | = | 10870.0 | nM | 4.96 | Antiviral activity against drug-resistant HIV-1 E138K mutant infected in human M... | 35679690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35679690 | 10.1016/j.ejmech.2022.114512 | Human immunodeficiency virus 1 | 6 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | Unchecked | 5 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | MT4 | 1 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | ADMET | 1 |
| 35679690 | 10.1016/j.ejmech.2022.114512 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine