Compound Detail
CHEMBL3759409
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Basic Information
| ChEMBL ID | CHEMBL3759409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRZDLTCXOSFHJC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
3.16
ALogP
2
HBA
0
HBD
13.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 4.02 | 4.02 | 95200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 6700.0 | nM | 5.17 | Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hy... | 26688270 |
| Carbonic anhydrase 12 | Ki | = | 95200.0 | nM | 4.02 | Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 H... | 26688270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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