Compound Detail
CHEMBL3092389
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Basic Information
| ChEMBL ID | CHEMBL3092389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGNQRNBDZQJCCN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
126.1
MW (Da)
0.80
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7400.0 | nM | 5.13 | Inhibition of Malassezia globosa recombinant beta-carbonic anhydrase preincubate... | 28343756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28343756 | 10.1016/j.bmc.2017.03.026 | Unchecked | 3 |
| 24262887 | 10.1016/j.bmc.2013.10.037 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 28343756 | 10.1016/j.bmc.2017.03.026 | Carbonic anhydrase 2 | 1 |
| 28343756 | 10.1016/j.bmc.2017.03.026 | Carbonic anhydrase 1 | 1 |
| 28416134 | 10.1016/j.bmcl.2017.04.017 | Staphylococcus aureus | 1 |
| 28416134 | 10.1016/j.bmcl.2017.04.017 | Bacillus subtilis | 1 |
| 28416134 | 10.1016/j.bmcl.2017.04.017 | Klebsiella pneumoniae | 1 |
| 28416134 | 10.1016/j.bmcl.2017.04.017 | Escherichia coli | 1 |
| 33479657 | 10.1039/d0md00011f | Arginase-1 | 1 |
Data from ChEMBL 36 via Core Engine