Compound Detail
CHEMBL1744438
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O=C([O-])c1cc(NS(=O)(=O)c2cc(S(=O)(=O)Nc3cc(C(=O)[O-])c(O)c(S(=O)(=O)[O-])c3)cc(S(=O)(=O)Nc3cc(C(=O)[O-])c(O)c(S(=O)(=O)[O-])c3)c2)cc(S(=O)(=O)[O-])c1O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1744438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFVMAXHMMXEHKK-UHFFFAOYSA-H |
| Parent Compound | CHEMBL294575 |
| Active Moiety | CHEMBL294575 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
963.9
MW (Da)
0.04
ALogP
18
HBA
12
HBD
474.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 11000.0 | nM | 4.96 | 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