Compound Detail
CHEMBL5197780
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Basic Information
| ChEMBL ID | CHEMBL5197780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQQSEJGPLMJGJG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.3
MW (Da)
5.77
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.25
EC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.25 | 5.17 | 5600.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of HIV-1 reverse transcriptase associated RNA-dependent DNA polymeras... | 34106711 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 8190.0 | nM | 5.09 | Inhibition of recombinant His-tagged wild-type HIV-1 group M subtype B BH10 reve... | 34106711 |
| Human immunodeficiency virus 1 | EC50 | = | 13300.0 | nM | 4.88 | Antiviral activity against HIV 1 infected in human HeLa-MAGI cells assessed as i... | 34106711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34106711 | 10.1021/acs.jmedchem.1c00535 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 34106711 | 10.1021/acs.jmedchem.1c00535 | Human immunodeficiency virus type 1 integrase | 1 |
| 34106711 | 10.1021/acs.jmedchem.1c00535 | Human immunodeficiency virus 1 | 1 |
| 34106711 | 10.1021/acs.jmedchem.1c00535 | Unchecked | 1 |
| 34106711 | 10.1021/acs.jmedchem.1c00535 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine