Compound Detail
CHEMBL1744436
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O=S(=O)([O-])c1ccc2cc(NS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Nc5cc6ccc(S(=O)(=O)[O-])cc6cc5S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1744436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFVGIJHUABXBKL-UHFFFAOYSA-J |
| Parent Compound | CHEMBL432711 |
| Active Moiety | CHEMBL432711 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
884.9
MW (Da)
4.25
ALogP
12
HBA
6
HBD
309.8
PSA (Ų)
0.10
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 41000.0 | nM | 4.39 | 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