Compound Detail
CHEMBL2019139
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Basic Information
| ChEMBL ID | CHEMBL2019139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSPMPHNFDHOXIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.7
MW (Da)
3.70
ALogP
3
HBA
1
HBD
56.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | IC50 | 5.12 | 5.12 | 7660.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 5.06 | 5.06 | 8660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | IC50 | = | 7660.0 | nM | 5.12 | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by s... | 22487176 |
| Carbonic anhydrase 2 | IC50 | = | 8660.0 | nM | 5.06 | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by s... | 22487176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22487176 | 10.1016/j.bmcl.2012.03.071 | Carbonic anhydrase 1 | 1 |
| 22487176 | 10.1016/j.bmcl.2012.03.071 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine