Compound Detail
CHEMBL4585633
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Basic Information
| ChEMBL ID | CHEMBL4585633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCHUPALTVUYYID-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.8
MW (Da)
3.45
ALogP
4
HBA
1
HBD
58.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.4 | 7.5625 | 4.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4.0 | nM | 8.4 | Antiviral activity against wild type HIV 1 NL4-3 infected in human MT4 cells ass... | 30525601 |
| Human immunodeficiency virus 1 | EC50 | = | 12.0 | nM | 7.92 | Antiviral activity against HIV-1 harboring reverse transcriptase K103N mutant in... | 30525601 |
| Human immunodeficiency virus 1 | EC50 | = | 98.0 | nM | 7.01 | Antiviral activity against HIV 1 harboring reverse transcriptase Y181C mutant in... | 30525601 |
| Human immunodeficiency virus 1 | EC50 | = | 120.0 | nM | 6.92 | Antiviral activity against HIV-1 harboring reverse transcriptase Y188L mutant in... | 30525601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30525601 | 10.1021/acs.jmedchem.8b01238 | Human immunodeficiency virus 1 | 9 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | Unchecked | 3 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | MT4 | 1 |
| 30525601 | 10.1021/acs.jmedchem.8b01238 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine