Compound Detail
CHEMBL1744434
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O=S(=O)([O-])c1ccc2cc(OS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Oc5cc6ccc(S(=O)(=O)[O-])cc6cc5S(=O)(=O)O)cc4)cc3)c(S(=O)(=O)O)cc2c1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1744434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFUROPSCWIAVPQ-UHFFFAOYSA-L |
| Parent Compound | CHEMBL304716 |
| Active Moiety | CHEMBL304716 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
886.9
MW (Da)
4.18
ALogP
14
HBA
4
HBD
304.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 43000.0 | nM | 4.37 | Antiviral activity against HIV-1 (HTLV-IIIB) in MT-4 cells | 8336338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8336338 | 10.1021/jm00066a008 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine