Compound Detail
CHEMBL5566913
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Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(-c4ccc(N)cc4)c3)c2=O)n[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL5566913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGFQZTALPUNZIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.9
MW (Da)
4.03
ALogP
7
HBA
2
HBD
107.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 158.0 | nM | 6.8 | Antiviral activity against wild type HIV-1 IIIB infected in human MT4 cells asse... | 38613773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38613773 | 10.1021/acs.jmedchem.4c00026 | Human immunodeficiency virus 1 | 1 |
| 38613773 | 10.1021/acs.jmedchem.4c00026 | MT4 | 1 |
| 38613773 | 10.1021/acs.jmedchem.4c00026 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine