Compound Detail
CHEMBL186335
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Basic Information
| ChEMBL ID | CHEMBL186335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDPWQQORTOWPSP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
0.85
ALogP
6
HBA
1
HBD
116.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Carbonic anhydrase 5A, mitochondrial CHEMBL4789 | IC50 | 4.35 | 4.35 | 44900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 2 | IC50 | = | 250.0 | nM | 6.6 | Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase | 15482952 |
| Carbonic anhydrase 5A, mitochondrial | IC50 | = | 44900.0 | nM | 4.35 | Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase | 15482952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482952 | 10.1016/j.bmcl.2004.07.085 | Carbonic anhydrase 2 | 1 |
| 15482952 | 10.1016/j.bmcl.2004.07.085 | Carbonic anhydrase 5A, mitochondrial | 1 |
| 15482952 | 10.1016/j.bmcl.2004.07.085 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine