Compound Detail
CHEMBL1788173
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Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(O)c(S(=O)(=O)[O-])c2)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL1788173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTVKGIDFORAXRQ-UHFFFAOYSA-J |
| Parent Compound | CHEMBL303086 |
| Active Moiety | CHEMBL303086 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
710.7
MW (Da)
1.51
ALogP
12
HBA
8
HBD
316.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 57000.0 | nM | 4.24 | 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