Compound Detail
CHEMBL2019154
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Basic Information
| ChEMBL ID | CHEMBL2019154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDRGCZDAIUIDRB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
4.12
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | IC50 | 5.32 | 5.32 | 4810.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | IC50 | 5.03 | 5.03 | 9330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant human MAO-B using p-tyramine as substrate incubated fo... | 36037788 |
| Carbonic anhydrase 1 | IC50 | = | 4810.0 | nM | 5.32 | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by s... | 22487176 |
| Carbonic anhydrase 2 | IC50 | = | 9330.0 | nM | 5.03 | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by s... | 22487176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25453803 | 10.1016/j.bmcl.2014.10.033 | RAW264.7 | 2 |
| 22487176 | 10.1016/j.bmcl.2012.03.071 | Carbonic anhydrase 1 | 1 |
| 22487176 | 10.1016/j.bmcl.2012.03.071 | Carbonic anhydrase 2 | 1 |
| 36037788 | 10.1016/j.ejmech.2022.114655 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine