Compound Detail
CHEMBL1946184
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Basic Information
| ChEMBL ID | CHEMBL1946184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSFGGXNLZUSHHS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
236.1
MW (Da)
1.10
ALogP
2
HBA
1
HBD
60.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Carbonic anhydrase 4 CHEMBL3729 | Ki | 5.84 | 5.84 | 1430.0 | 1 |
| Carbonic anhydrase 6 CHEMBL3025 | Ki | 5.42 | 5.42 | 3790.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.23 | 5.23 | 5874.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.84 | 4.84 | 14480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 570.0 | nM | 6.24 | Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 4 | Ki | = | 1430.0 | nM | 5.84 | Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylac... | 22230050 |
| Carbonic anhydrase 6 | Ki | = | 3790.0 | nM | 5.42 | Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylac... | 22230050 |
| Unchecked | Ki | = | 5874.0 | nM | 5.23 | Inhibition of sheep kidney esterase activity of carbonic anhydrase using 4-nitro... | 22974493 |
| Carbonic anhydrase 1 | Ki | = | 14480.0 | nM | 4.84 | Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylac... | 22230050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25537270 | 10.1016/j.bmcl.2014.12.006 | Amyloid-beta precursor protein | 2 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 1 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 2 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 4 | 1 |
| 22230050 | 10.1016/j.bmcl.2011.12.069 | Carbonic anhydrase 6 | 1 |
| 22974493 | 10.1016/j.bmc.2012.08.018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine