Compound Detail
CHEMBL453758
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Basic Information
| ChEMBL ID | CHEMBL453758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTRGFVQIGQYKIL-ZHACJKMWSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
224.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.07
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.07 | 5.07 | 8500.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.97 | 4.97 | 10700.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Carbonic anhydrase CHEMBL5337 | Ki | 4.37 | 4.37 | 42300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Wistar rat brain FAAH assessed as [3H]arachidonoylethanolamide hyd... | 18983140 |
| Unchecked | Ki | = | 8500.0 | nM | 5.07 | Inhibition of Cryptococcus neoformans recombinant Carbonic anhydrase 2 pre-incub... | 19375309 |
| Carbonic anhydrase 1 | Ki | = | 10700.0 | nM | 4.97 | Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for ... | 19375309 |
| Monoglyceride lipase | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of human recombinant MGL | 18983140 |
| Carbonic anhydrase | Ki | = | 42300.0 | nM | 4.37 | Inhibition of Candida albicans recombinant Carbonic anhydrase pre-incubated for ... | 19375309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18983140 | 10.1021/jm801051t | Fatty-acid amide hydrolase 1 | 1 |
| 18983140 | 10.1021/jm801051t | Monoglyceride lipase | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Carbonic anhydrase 1 | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Carbonic anhydrase 2 | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Unchecked | 1 |
| 19375309 | 10.1016/j.bmcl.2009.03.147 | Carbonic anhydrase | 1 |
Data from ChEMBL 36 via Core Engine