Compound Detail
CHEMBL488609
2,6-DIMETHOXYBENZOIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL488609 |
| Name | 2,6-DIMETHOXYBENZOIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBIZFBDREVRUHY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
1.40
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 6.26 | 6.26 | 550.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.99 | 5.99 | 1020.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.49 | 5.49 | 3220.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.08 | 5.08 | 8230.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.04 | 5.04 | 9070.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.01 | 5.01 | 9670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 14 | Ki | = | 550.0 | nM | 6.26 | Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydrat... | 22668600 |
| Carbonic anhydrase 2 | Ki | = | 1020.0 | nM | 5.99 | Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrati... | 21282059 |
| Carbonic anhydrase 7 | Ki | = | 3220.0 | nM | 5.49 | Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 12 | Ki | = | 8230.0 | nM | 5.08 | Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydrat... | 21282059 |
| Carbonic anhydrase 9 | Ki | = | 9070.0 | nM | 5.04 | Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydrati... | 21282059 |
| Carbonic anhydrase 1 | Ki | = | 9670.0 | nM | 5.01 | Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydrati... | 21282059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.cropro.2012.09.015 | Botryosphaeria dothidea | 5 |
| - | 10.1016/j.cropro.2012.09.015 | Lasiodiplodia theobromae | 5 |
| - | 10.1016/j.cropro.2012.09.015 | Neofusicoccum ribis | 4 |
| - | 10.1016/j.cropro.2012.09.015 | Diplodia seriata | 3 |
| 3127544 | 10.1021/np50054a008 | NON-PROTEIN TARGET | 2 |
| 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 |
| - | 10.1007/s00044-009-9162-3 | Rattus norvegicus | 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 |
Data from ChEMBL 36 via Core Engine