Compound Detail
CHEMBL269755
3-AMINOPHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL269755 |
| Name | 3-AMINOPHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWLKGDAVCFYWJK-UHFFFAOYSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
109.1
MW (Da)
0.97
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 5.41
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.33 | 5.33 | 4700.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 5.14 | 5.14 | 7200.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3900.0 | nM | 5.41 | Inhibition of Malassezia globosa recombinant beta-carbonic anhydrase preincubate... | 28343756 |
| Carbonic anhydrase 2 | Ki | = | 4700.0 | nM | 5.33 | Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 9 | Ki | = | 4900.0 | nM | 5.31 | Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 1 | Ki | = | 4900.0 | nM | 5.31 | Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 7 | Ki | = | 5900.0 | nM | 5.23 | Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 14 | Ki | = | 7200.0 | nM | 5.14 | Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydrat... | 22668600 |
| Carbonic anhydrase 12 | Ki | = | 7700.0 | nM | 5.11 | Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydrat... | 22668600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36796127 | 10.1016/j.bmc.2023.117203 | No relevant target | 11 |
| 6802973 | 10.1021/jm00345a016 | No relevant target | 3 |
| 28343756 | 10.1016/j.bmc.2017.03.026 | Unchecked | 3 |
| 6251219 | 10.1021/jm00183a016 | Poliovirus 1 | 2 |
| 6802973 | 10.1021/jm00345a016 | Bacillus subtilis | 2 |
| 16279782 | 10.1021/jm050567w | L1210 | 2 |
| 36796127 | 10.1016/j.bmc.2023.117203 | Unchecked | 2 |
| 6251219 | 10.1021/jm00183a016 | NON-PROTEIN TARGET | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 14 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 12 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 9 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 7 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 2 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine