Compound Detail
CHEMBL1208422
ROSE BENGAL FREE ACID 💊 Approved Drug
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💊 Approved Drug
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
Basic Information
| ChEMBL ID | CHEMBL1208422 |
| Name | ROSE BENGAL FREE ACID |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VDNLFJGJEQUWRB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
3
Known Names
8
Indications
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 |
| First Approval | 1971 |
| Availability | Discontinued |
| Chirality | Achiral |
Indications
Acanthamoeba Keratitis Keratitis Melanoma Melanoma Tobacco Use Disorder Psoriasis Breast Neoplasms Neuroendocrine Tumors
Activity Summary
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase CHEMBL1795143 | IC50 | 4.53 | 4.53 | 29700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Poly(ADP-ribose) glycohydrolase | IC50 | = | 29700.0 | nM | 4.53 | Inhibition of recombinant human PARG assessed as mono(ADP-R) release using PAR a... | 31879180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 32039596 | 10.1021/acs.jmedchem.9b02014 | No relevant target | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 31879180 | 10.1016/j.bmc.2019.115249 | Poly(ADP-ribose) glycohydrolase | 1 |
| 37866712 | 10.1016/j.bmcl.2023.129534 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine