Compound Detail
CHEMBL2180956
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N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3Cl)c2F)c1
Basic Information
| ChEMBL ID | CHEMBL2180956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHVDXXHQBIQENJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.8
MW (Da)
5.03
ALogP
5
HBA
2
HBD
122.3
PSA (Ų)
0.46
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.89 | 7.2867 | 13.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 13.0 | nM | 7.89 | Antiviral activity against HIV1 expressing wild type reverse transcriptase infec... | 23137340 |
| Human immunodeficiency virus 1 | EC50 | = | 60.0 | nM | 7.22 | Antiviral activity against NNRTI-resistant HIV1 harboring reverse transcriptase ... | 23137340 |
| Human immunodeficiency virus 1 | EC50 | = | 180.0 | nM | 6.75 | Antiviral activity against NNRTI-resistant HIV1 harboring reverse transcriptase ... | 23137340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23137340 | 10.1021/jm301294g | Human immunodeficiency virus 1 | 4 |
Data from ChEMBL 36 via Core Engine