Compound Detail
CHEMBL571510
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Basic Information
| ChEMBL ID | CHEMBL571510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHSIJUVRXSETDR-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
0.34
ALogP
6
HBA
2
HBD
69.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.35
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 6.0 | 6.0 | 1010.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5695 | IC50 | 5.35 | 5.35 | 4430.0 | 1 |
| Trans-cinnamate 4-monooxygenase CHEMBL2268005 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.87 | 4.87 | 13460.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 4.3 | 4.3 | 49580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 1010.0 | nM | 6.0 | Inhibition of mashroom tyrosinase | 20452224 |
| Intestinal-type alkaline phosphatase | IC50 | = | 4430.0 | nM | 5.35 | Inhibition of calf intestinal alkaline phosphatase using p-nitrophenyl phosphate... | 24681981 |
| Trans-cinnamate 4-monooxygenase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of Populus sieboldii x Populus grandidentata trans-cinnamate 4-hydrox... | - |
| Acetylcholinesterase | IC50 | = | 13460.0 | nM | 4.87 | Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide a... | 24681981 |
| Cholinesterase | IC50 | = | 49580.0 | nM | 4.3 | Inhibition of human BChE using butyrylthiocholine iodide as substrate preincubat... | 24681981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24681981 | 10.1016/j.ejmech.2014.03.046 | NON-PROTEIN TARGET | 4 |
| 24681981 | 10.1016/j.ejmech.2014.03.046 | NCI-H157 | 4 |
| 24681981 | 10.1016/j.ejmech.2014.03.046 | Leishmania major | 4 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Escherichia coli | 1 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Yersinia pseudotuberculosis | 1 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Pseudomonas aeruginosa | 1 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Enterococcus faecalis | 1 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Staphylococcus aureus | 1 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Bacillus cereus | 1 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Candida tropicalis | 1 |
| 19647352 | 10.1016/j.ejmech.2009.05.022 | Candida albicans | 1 |
| 20452224 | 10.1016/j.bmc.2010.04.021 | Tyrosinase | 1 |
| - | 10.1584/jpestics.30.406 | Trans-cinnamate 4-monooxygenase | 1 |
| 24681981 | 10.1016/j.ejmech.2014.03.046 | Acetylcholinesterase | 1 |
| 24681981 | 10.1016/j.ejmech.2014.03.046 | Cholinesterase | 1 |
| 24681981 | 10.1016/j.ejmech.2014.03.046 | Intestinal-type alkaline phosphatase | 1 |
Data from ChEMBL 36 via Core Engine