Compound Detail
CHEMBL1375
5-CHLOROSALICYLIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1375 |
| Name | 5-CHLOROSALICYLIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKBASRXWGAGQDP-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
172.6
MW (Da)
1.74
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Ki 3 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.9 | 5.9 | 1270.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | IC50 | 5.39 | 5.39 | 4070.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.38 | 5.38 | 4160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry | 18819808 |
| Carbonic anhydrase 2 | Ki | = | 1270.0 | nM | 5.9 | Inhibition of human carbonic anhydrase 2 esterase activity by uncompetitive Line... | 18819808 |
| Carbonic anhydrase 1 | IC50 | = | 4070.0 | nM | 5.39 | Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry | 18819808 |
| Carbonic anhydrase 1 | Ki | = | 4160.0 | nM | 5.38 | Inhibition of human carbonic anhydrase 1 esterase activity by uncompetitive Line... | 18819808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13215 | 10.1021/jm00211a010 | No relevant target | 4 |
| 27089213 | 10.1016/j.ejmech.2016.04.007 | RAW264.7 | 4 |
| 18819808 | 10.1016/j.bmc.2008.09.028 | Carbonic anhydrase 1 | 2 |
| 18819808 | 10.1016/j.bmc.2008.09.028 | Carbonic anhydrase 2 | 2 |
| 22154834 | 10.1016/j.ejmech.2011.11.030 | Unchecked | 2 |
| 15801837 | 10.1021/jm049227l | Albumin | 1 |
| - | 10.1007/s00044-009-9162-3 | Rattus norvegicus | 1 |
| 13215 | 10.1021/jm00211a010 | Neuron | 1 |
| 26322531 | 10.1021/acs.jmedchem.5b00871 | D-amino-acid oxidase | 1 |
| 26322531 | 10.1021/acs.jmedchem.5b00871 | D-aspartate oxidase | 1 |
| 26183083 | 10.1016/j.bmcl.2015.07.001 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine