Compound Detail
CHEMBL4073247
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Basic Information
| ChEMBL ID | CHEMBL4073247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVYYEMWLFPLZPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.7
MW (Da)
2.22
ALogP
5
HBA
4
HBD
116.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 7.37 | 7.37 | 42.8 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 6.14 | 6.14 | 722.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 9 | Ki | = | 42.8 | nM | 7.37 | Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins pr... | 28658574 |
| Carbonic anhydrase 12 | Ki | = | 722.7 | nM | 6.14 | Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins p... | 28658574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 9 | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 12 | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 1 | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Carbonic anhydrase 2 | 1 |
| 28658574 | 10.1021/acs.jmedchem.7b00766 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine