Compound Detail
CHEMBL146179
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(/C=C/c1ccc(O)c(O)c1)Oc1cc(OC(=O)/C=C/c2ccc(O)c(O)c2)cc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL146179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXLGXPZQECDQIF-FCXRPNKRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
3.44
ALogP
9
HBA
5
HBD
170.8
PSA (Ų)
0.15
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 6900.0 | nM | 5.16 | Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1... | 9986720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986720 | 10.1021/jm9804735 | MT2 | 1 |
| 9986720 | 10.1021/jm9804735 | Human immunodeficiency virus 1 | 1 |
| 9986720 | 10.1021/jm9804735 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine