Compound Detail
CHEMBL129261
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL129261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYTQCLKZYRFUIQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
222.6
MW (Da)
2.43
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.3
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.21 | 5.21 | 6140.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 6140.0 | nM | 5.21 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Carbonic anhydrase 12 | Ki | = | 50000.0 | nM | 4.3 | Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia c... | 26088336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930155 | 10.1021/jm030888c | Hydroxycarboxylic acid receptor 2 | 1 |
| 26088336 | 10.1016/j.bmc.2015.05.052 | Carbonic anhydrase 1 | 1 |
| 26088336 | 10.1016/j.bmc.2015.05.052 | Carbonic anhydrase 2 | 1 |
| 26088336 | 10.1016/j.bmc.2015.05.052 | Carbonic anhydrase 9 | 1 |
| 26088336 | 10.1016/j.bmc.2015.05.052 | Carbonic anhydrase 12 | 1 |
| 29551481 | 10.1016/j.bmcl.2018.03.002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine