Compound Detail
CHEMBL4167691
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Basic Information
| ChEMBL ID | CHEMBL4167691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUKUJUWSPSBELY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL6185 | Ki | 6.48 | 6.48 | 334.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.42 | 6.42 | 380.0 | 1 |
| Carbonic anhydrase 2 CHEMBL1697676 | Ki | 6.27 | 6.27 | 537.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.88 | 5.88 | 1305.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.27 | 5.27 | 5346.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | Ki | = | 334.0 | nM | 6.48 | Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by ... | 29152053 |
| Carbonic anhydrase 1 | Ki | = | 380.0 | nM | 6.42 | Inhibition of human carbonic anhydrase-1 incubated for 15 mins prior to testing ... | 29152053 |
| Carbonic anhydrase 2 | Ki | = | 537.0 | nM | 6.27 | Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testin... | 29152053 |
| Carbonic anhydrase 2 | Ki | = | 1305.0 | nM | 5.88 | Inhibition of human carbonic anhydrase-2 incubated for 15 mins prior to testing ... | 29152053 |
| Unchecked | Ki | = | 5346.0 | nM | 5.27 | Inhibition of Malassezia globosa beta-carbonic anhydrase incubated for 15 mins p... | 29152053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29152053 | 10.1021/acsmedchemlett.7b00369 | Carbonic anhydrase 2 | 2 |
| 29152053 | 10.1021/acsmedchemlett.7b00369 | Unchecked | 1 |
| 29152053 | 10.1021/acsmedchemlett.7b00369 | Carbonic anhydrase | 1 |
| 29152053 | 10.1021/acsmedchemlett.7b00369 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine