Compound Detail
CHEMBL2359093
ROSE BENGAL SODIUM 🧪 Phase II
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🧪 Phase II
O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2359093 |
| Name | ROSE BENGAL SODIUM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UWBXIFCTIZXXLS-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1208422 |
| Active Moiety | CHEMBL1208422 |
8
Targets
17
Activities
2
Assay Types
0
PK Parameters
20
Publications
12
Known Names
Molecular Properties
973.7
MW (Da)
9.00
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
ATC Classification
S01JA02
rose bengal sodium
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
IC50 16 meas. best 8.1
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular stomatitis virus CHEMBL613739 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.72 | 5.3017 | 19.0 | 6 |
| Unchecked CHEMBL612545 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Human immunodeficiency virus CHEMBL613758 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| unidentified influenza virus CHEMBL613128 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Protein translocase subunit SecA 1 CHEMBL3832949 | IC50 | 6.3 | 6.15 | 500.0 | 2 |
| Protein translocase subunit SecA 2 CHEMBL3832955 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Vesicular acetylcholine transporter CHEMBL2125 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
| Fibroblast CHEMBL613838 | IC50 | 4.14 | 4.13 | 73000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine