Compound Detail
CHEMBL199651
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Basic Information
| ChEMBL ID | CHEMBL199651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFHQMQJFMBSJDZ-UPHRSURJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
0.55
ALogP
8
HBA
2
HBD
172.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL2283 | Ki | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | Ki | = | 9.3 | nM | 8.03 | Displacement of DNSA from CAII in bovine erythrocytes | 16213706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16213706 | 10.1016/j.bmcl.2005.08.113 | Carbonic anhydrase 2 | 1 |
Data from ChEMBL 36 via Core Engine