Compound Detail
CHEMBL149475
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O=C(CCc1ccc(O)c(O)c1)OC(C(=O)O)C(OC(=O)CCc1ccc(O)c(O)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL149475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSABLHXNDXJOIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
1.07
ALogP
10
HBA
6
HBD
208.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.62 | 5.62 | 2380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2380.0 | nM | 5.62 | Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1... | 9986720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9986720 | 10.1021/jm9804735 | Human immunodeficiency virus 1 | 3 |
| 9986720 | 10.1021/jm9804735 | Human immunodeficiency virus type 1 integrase | 2 |
| 9986720 | 10.1021/jm9804735 | MT2 | 1 |
Data from ChEMBL 36 via Core Engine