Compound Detail
CHEMBL370201
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COCCOCCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(C)(C)C)c2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL370201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCWCCKQWPDCLGA-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.1
MW (Da)
6.38
ALogP
6
HBA
1
HBD
83.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.22 | 8.04 | 6.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 6.0 | nM | 8.22 | Antiviral activity against HIV1 3B in MT4 cells | 16420058 |
| Human immunodeficiency virus 1 | IC50 | = | 6.0 | nM | 8.22 | Antiviral activity against HIV1 HxB2 using HeLa MAGI assay | 16420058 |
| Human immunodeficiency virus 1 | IC50 | = | 12.0 | nM | 7.92 | Antiviral activity against HIV1 Y181C mutant using HeLa MAGI assay | 16420058 |
| Human immunodeficiency virus 1 | IC50 | = | 16.0 | nM | 7.8 | Antiviral activity against HIV1 K103N mutant using HeLa MAGI assay | 16420058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420058 | 10.1021/jm050670l | Human immunodeficiency virus 1 | 4 |
Data from ChEMBL 36 via Core Engine