Compound Detail
CHEMBL1092054
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Basic Information
| ChEMBL ID | CHEMBL1092054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZAKJQBUQGUHQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.3
MW (Da)
1.63
ALogP
5
HBA
5
HBD
134.2
PSA (Ų)
0.11
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase CHEMBL5337 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.99 | 6.99 | 103.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase | Ki | = | 7.5 | nM | 8.12 | inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow ... | 20299219 |
| Unchecked | Ki | = | 103.0 | nM | 6.99 | inhibition of Cryptococcus neoformans recombinant Can2 after 15 mins by stopped-... | 20299219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20299219 | 10.1016/j.bmcl.2010.02.103 | Carbonic anhydrase | 2 |
| 20299219 | 10.1016/j.bmcl.2010.02.103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine