Compound Detail
CHEMBL574431
SULFOBROMOPHTHALEIN Enter ChEMBL ID:
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O=C1OC(c2ccc(O)c(S(=O)(=O)O)c2)(c2ccc(O)c(S(=O)(=O)O)c2)c2c(Br)c(Br)c(Br)c(Br)c21
Basic Information
| ChEMBL ID | CHEMBL574431 |
| Name | SULFOBROMOPHTHALEIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHTXTCNTQJFRIG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
4
Known Names
1
Indications
Molecular Properties
794.0
MW (Da)
5.10
ALogP
8
HBA
4
HBD
175.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Liver Function Tests
ATC Classification
V04CE02
sulfobromophthalein
Level 1: VARIOUS
Level 2: DIAGNOSTIC AGENTS
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase CHEMBL5879 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hematopoietic prostaglandin D synthase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate o... | 19939518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19939518 | 10.1016/j.ejmech.2009.10.025 | Hematopoietic prostaglandin D synthase | 2 |
| 12871948 | 10.1074/jbc.m300909200 | Monocarboxylate transporter 8 | 2 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
| 20020916 | 10.1080/15376510701857262 | Phospholipidosis | 1 |
| 21422191 | 10.1124/dmd.110.037960 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 21422191 | 10.1124/dmd.110.037960 | Solute carrier organic anion transporter family member 2B1 | 1 |
| 21422191 | 10.1124/dmd.110.037960 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine