Compound Detail
CHEMBL3623663
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Basic Information
| ChEMBL ID | CHEMBL3623663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZILEQYIQFONPP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
2.95
ALogP
6
HBA
0
HBD
70.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 8.32 | 8.31 | 4.8 | 2 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 8.1 | 7.855 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 12 | Ki | = | 4.8 | nM | 8.32 | Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow ca... | 26432607 |
| Carbonic anhydrase 12 | Ki | = | 5.0 | nM | 8.3 | Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 H... | 26688270 |
| Carbonic anhydrase 9 | Ki | = | 8.0 | nM | 8.1 | Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hy... | 26688270 |
| Carbonic anhydrase 9 | Ki | = | 24.5 | nM | 7.61 | Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow car... | 26432607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26432607 | 10.1016/j.bmc.2015.09.041 | Carbonic anhydrase 2 | 1 |
| 26432607 | 10.1016/j.bmc.2015.09.041 | Carbonic anhydrase 1 | 1 |
| 26432607 | 10.1016/j.bmc.2015.09.041 | Carbonic anhydrase 9 | 1 |
| 26432607 | 10.1016/j.bmc.2015.09.041 | Carbonic anhydrase 12 | 1 |
| 26688270 | 10.1021/acs.jmedchem.5b01720 | Carbonic anhydrase 1 | 1 |
| 26688270 | 10.1021/acs.jmedchem.5b01720 | Carbonic anhydrase 2 | 1 |
| 26688270 | 10.1021/acs.jmedchem.5b01720 | Carbonic anhydrase 9 | 1 |
| 26688270 | 10.1021/acs.jmedchem.5b01720 | Carbonic anhydrase 12 | 1 |
Data from ChEMBL 36 via Core Engine