Compound Detail
CHEMBL507918
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Basic Information
| ChEMBL ID | CHEMBL507918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRIWJVSWLJHHEM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
152.2
MW (Da)
1.21
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.9 | 5.9 | 1250.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.25 | 4.25 | 55600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 1250.0 | nM | 5.9 | Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetat... | 19231207 |
| Carbonic anhydrase 1 | Ki | = | 55600.0 | nM | 4.25 | Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetat... | 19231207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19231207 | 10.1016/j.bmc.2009.01.067 | Carbonic anhydrase 1 | 1 |
| 19231207 | 10.1016/j.bmc.2009.01.067 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine