Compound Detail
CHEMBL133842
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COC(=O)c1cc(C(=CCCNC(=O)OCC(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC
Basic Information
| ChEMBL ID | CHEMBL133842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDPCIWMHKXRSLK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
568.5
MW (Da)
5.79
ALogP
8
HBA
1
HBD
109.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.18 | 4.18 | 65400.0 | 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 | = | 65400.0 | nM | 4.18 | Inhibitory activity against HIV-1 Reverse Transcriptase with rCdG as the templat... | 11708913 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708913 | 10.1021/jm010212m | CEM-SS | 2 |
| 11708913 | 10.1021/jm010212m | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine