Compound Detail
CHEMBL190982
1,4-DICHLOROBENZENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL190982 |
| Name | 1,4-DICHLOROBENZENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCJBOOLMMGQPQU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
147.0
MW (Da)
2.99
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2A5 CHEMBL4085 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
| Cytochrome P450 2A6 CHEMBL5282 | IC50 | 4.77 | 4.77 | 16982.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2A5 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration against mouse cytochrome P450 2A5 | 15658857 |
| Cytochrome P450 2A5 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of mouse CYP2A5 | 19110342 |
| Cytochrome P450 2A6 | IC50 | = | 17000.0 | nM | 4.77 | Inhibitory concentration against human cytochrome P450 2A6 | 15658857 |
| Cytochrome P450 2A6 | IC50 | = | 16982.44 | nM | 4.77 | Inhibition of human CYP2A6 | 19110342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 722 |
| 16699520 | 10.1038/nchembio791 | Caenorhabditis elegans | 47 |
| 16699520 | 10.1038/nchembio791 | Caspase-3 | 2 |
| 16699520 | 10.1038/nchembio791 | Cell death protein 3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 17629592 | 10.1016/j.ejmech.2007.05.007 | No relevant target | 1 |
| 20843939 | 10.1124/dmd.110.035113 | Hepatotoxicity | 1 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 16699520 | 10.1038/nchembio791 | No relevant target | 1 |
| 15658857 | 10.1021/jm049536b | Cytochrome P450 2A6 | 1 |
| 19272677 | 10.1016/j.ejmech.2009.02.014 | Mus musculus | 1 |
| 19110342 | 10.1016/j.ejmech.2008.11.010 | Cytochrome P450 2A6 | 1 |
| 19110342 | 10.1016/j.ejmech.2008.11.010 | Cytochrome P450 2A5 | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 15658857 | 10.1021/jm049536b | ADMET | 1 |
| 15658857 | 10.1021/jm049536b | Cytochrome P450 2A5 | 1 |
Data from ChEMBL 36 via Core Engine