Compound Detail
CHEMBL5613097
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CCOC(=O)/C(O)=C/C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(C(=O)c3ccc(C(=O)OCC)cc3)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL5613097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLLFHNAQYNGPAS-NTFVMDSBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
571.6
MW (Da)
4.78
ALogP
9
HBA
1
HBD
129.0
PSA (Ų)
0.12
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.13 | 6.13 | 741.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 741.0 | nM | 6.13 | Inhibition of HIV-1 integrase catalytic activity incubated for 1 hrs in absence ... | 39291012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39291012 | 10.1021/acsmedchemlett.4c00268 | Human immunodeficiency virus type 1 integrase | 2 |
| 39291012 | 10.1021/acsmedchemlett.4c00268 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine