Compound Detail
CHEMBL471660
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Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)C(N)=O)[nH]c3ccc(Br)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL471660 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWDMOCLWOFLYJB-GFCCVEGCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
2.98
ALogP
4
HBA
3
HBD
122.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.8 | 7.145 | 16.0 | 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 | = | 16.0 | nM | 7.8 | Inhibition of HIV1 reverse transcriptase p66/p51 | 19281225 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 324.0 | nM | 6.49 | Inhibition of HIV1 reverse transcriptase p66/p51 K103N mutant | 19281225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19281225 | 10.1021/jm801470b | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine