Compound Detail
CHEMBL2074600
DIBROMOSULFOPHTHALEIN Enter ChEMBL ID:
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O=C1OC(c2ccc(OS(=O)(=O)O)cc2)(c2ccc(OS(=O)(=O)O)cc2)c2c(Br)ccc(Br)c21
Basic Information
| ChEMBL ID | CHEMBL2074600 |
| Name | DIBROMOSULFOPHTHALEIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AANIYWVYGNJWIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
636.2
MW (Da)
4.04
ALogP
8
HBA
2
HBD
153.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1777665 | Ki | 5.56 | 5.56 | 2740.0 | 1 |
| Organic anion transporter 3 CHEMBL2073666 | Ki | 5.51 | 5.51 | 3090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Ki | = | 2740.0 | nM | 5.56 | TP_TRANSPORTER: inhibition of PAH uptake in Oat1-expressing LLC-PK1 cells | 11861777 |
| Organic anion transporter 3 | Ki | = | 3090.0 | nM | 5.51 | TP_TRANSPORTER: inhibition of Pravastatin uptake in Oat3-expressing LLC-PK1 cell... | 11861777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510010 | - | ATP-binding cassette sub-family C member 2 | 2 |
| 8987080 | 10.1023/a:1016033124819 | ATP-binding cassette sub-family C member 2 | 2 |
| 11861777 | 10.1124/jpet.300.3.746 | Solute carrier family 22 member 6 | 1 |
| 11861777 | 10.1124/jpet.300.3.746 | Organic anion transporter 3 | 1 |
| 9765319 | - | Solute carrier organic anion transporter family member 1A1 | 1 |
Data from ChEMBL 36 via Core Engine