Compound Detail
CHEMBL1668604
1,4-DIMETHOXYBENZENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1668604 |
| Name | 1,4-DIMETHOXYBENZENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHBQPCCCRFSCAX-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
138.2
MW (Da)
1.70
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.47 | 5.47 | 3350.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.41 | 5.41 | 3880.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.4 | 5.4 | 4020.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.38 | 5.38 | 4150.0 | 1 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 5.17 | 5.17 | 6790.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.09 | 5.09 | 8210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 3350.0 | nM | 5.47 | Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrati... | 21282059 |
| Carbonic anhydrase 7 | Ki | = | 3880.0 | nM | 5.41 | Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 12 | Ki | = | 4020.0 | nM | 5.4 | Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydrat... | 21282059 |
| Carbonic anhydrase 9 | Ki | = | 4150.0 | nM | 5.38 | Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydrati... | 21282059 |
| Carbonic anhydrase 14 | Ki | = | 6790.0 | nM | 5.17 | Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydrat... | 22668600 |
| Carbonic anhydrase 1 | Ki | = | 8210.0 | nM | 5.09 | Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydrati... | 21282059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26986086 | 10.1016/j.ejmech.2016.03.008 | Unchecked | 8 |
| 18020407 | 10.1021/jf071636d | Trichoplusia ni | 4 |
| 21282059 | 10.1016/j.bmc.2011.01.016 | Carbonic anhydrase 1 | 1 |
| 21282059 | 10.1016/j.bmc.2011.01.016 | Carbonic anhydrase 2 | 1 |
| 21282059 | 10.1016/j.bmc.2011.01.016 | Carbonic anhydrase 9 | 1 |
| 21282059 | 10.1016/j.bmc.2011.01.016 | Carbonic anhydrase 12 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 14 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 7 | 1 |
| 26986086 | 10.1016/j.ejmech.2016.03.008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine