Compound Detail
CHEMBL342696
POLYCHLORINATED BIPHENYL 126 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL342696 |
| Name | POLYCHLORINATED BIPHENYL 126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REHONNLQRWTIFF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
6.62
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.89
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of CYP1B1 | 17544277 |
| Aryl hydrocarbon receptor | EC50 | = | 130.02 | nM | 6.89 | Affinity on cytosolic Aromatic hydrocarbon receptor (Ah) | 9435905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435905 | 10.1021/jm970488n | Aryl hydrocarbon receptor | 1 |
| 17544277 | 10.1016/j.bmc.2007.05.046 | Cytochrome P450 1B1 | 1 |
| 17544277 | 10.1016/j.bmc.2007.05.046 | Cytochrome P450 1A1 | 1 |
| 17544277 | 10.1016/j.bmc.2007.05.046 | Cytochrome P450 1A2 | 1 |
| 15472471 | 10.1292/jvms.66.1079 | ATP-dependent translocase ABCB1 | 1 |
| 11752118 | 10.1124/jpet.300.1.206 | Solute carrier organic anion transporter family member 1A4 | 1 |
Data from ChEMBL 36 via Core Engine