Compound Detail
CHEMBL2414440
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Basic Information
| ChEMBL ID | CHEMBL2414440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQYXZRNYNPACLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.1
MW (Da)
3.75
ALogP
4
HBA
1
HBD
97.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 7.33 | 7.33 | 46.9 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 5.34 | 5.34 | 4515.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 7 | Ki | = | 46.9 | nM | 7.33 | Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins by s... | 23867389 |
| Carbonic anhydrase 2 | Ki | = | 4515.0 | nM | 5.34 | Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by s... | 23867389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867389 | 10.1016/j.bmc.2013.06.035 | Carbonic anhydrase 7 | 1 |
| 23867389 | 10.1016/j.bmc.2013.06.035 | Carbonic anhydrase 2 | 1 |
| 23867389 | 10.1016/j.bmc.2013.06.035 | Carbonic anhydrase 1 | 1 |
Data from ChEMBL 36 via Core Engine