Compound Detail
CHEMBL341154
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Basic Information
| ChEMBL ID | CHEMBL341154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGTWUOQARPOYER-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
202.2
MW (Da)
2.08
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Ki 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 5.06 | 5.06 | 8710.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | Ki | 4.42 | 4.42 | 37900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 8710.0 | nM | 5.06 | PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... | - |
| Hydroxycarboxylic acid receptor 2 | Ki | = | 37900.0 | nM | 4.42 | Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in ... | 12930155 |
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 2 | 1 |
| 26088336 | 10.1016/j.bmc.2015.05.052 | Carbonic anhydrase 1 | 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 |
Data from ChEMBL 36 via Core Engine