Compound Detail
CHEMBL1762669
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Basic Information
| ChEMBL ID | CHEMBL1762669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFCBPAJDLZMJPL-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
167.2
MW (Da)
0.81
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.15
EC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.15 | 6.74 | 71.0 | 2 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.32 | 6.32 | 480.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 71.0 | nM | 7.15 | Inhibition of Cryptococcus neoformans Can2 beta-carbonic anhydrase by stopped fl... | 21402476 |
| Carbonic anhydrase 2 | Ki | = | 450.0 | nM | 6.35 | Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration... | 21402476 |
| Unchecked | Ki | = | 470.0 | nM | 6.33 | Inhibition of Candida albicans Nce103 beta-carbonic anhydrase by stopped flow CO... | 21402476 |
| Carbonic anhydrase 1 | Ki | = | 480.0 | nM | 6.32 | Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration... | 21402476 |
| Hepatitis C virus | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against HCV in human Huh-luc/neo7 cells after 72 hrs by lucif... | 24035094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21402476 | 10.1016/j.bmcl.2011.02.057 | Unchecked | 4 |
| 21402476 | 10.1016/j.bmcl.2011.02.057 | Carbonic anhydrase 1 | 1 |
| 21402476 | 10.1016/j.bmcl.2011.02.057 | Carbonic anhydrase 2 | 1 |
| 24035094 | 10.1016/j.bmcl.2013.08.081 | Huh-7 | 1 |
| 24035094 | 10.1016/j.bmcl.2013.08.081 | Unchecked | 1 |
| 24035094 | 10.1016/j.bmcl.2013.08.081 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine