Compound Detail
CHEMBL130458
TOLSERINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL130458 |
| Name | TOLSERINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGAGHIIOCADQOV-CTNGQTDRSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.0 | 7.8475 | 10.0 | 4 |
| Cholinesterase CHEMBL1914 | IC50 | 5.71 | 5.71 | 1950.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibition of human erythrocyte acetylcholinesterase. | 11708910 |
| Acetylcholinesterase | IC50 | = | 10.0 | nM | 8.0 | Anticholinesterase activity against human erythrocyte AChE | 16570913 |
| Acetylcholinesterase | IC50 | = | 10.3 | nM | 7.99 | Inhibition of human erythrocyte AChE using acetyl-(beta-methyl)thiocholine as su... | 35858523 |
| Acetylcholinesterase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human AChE by Ellmans test | 20684567 |
| Cholinesterase | IC50 | = | 1950.0 | nM | 5.71 | In vitro inhibition of human plasma butyrylcholinesterase. | 11708910 |
| Cholinesterase | IC50 | = | 1950.0 | nM | 5.71 | Anticholinesterase activity against human plasma BChE | 16570913 |
| Cholinesterase | IC50 | = | 1950.0 | nM | 5.71 | Inhibition of human plasma BChE using S-butyrylthiocholine as substrate by enzym... | 35858523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20684567 | 10.1021/jm100573q | Acetylcholinesterase | 2 |
| 11708910 | 10.1021/jm010080x | Acetylcholinesterase | 1 |
| 11708910 | 10.1021/jm010080x | Cholinesterase | 1 |
| 16570913 | 10.1021/jm050578p | Acetylcholinesterase | 1 |
| 16570913 | 10.1021/jm050578p | Cholinesterase | 1 |
| 16570913 | 10.1021/jm050578p | Cholinesterases; ACHE & BCHE | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Acetylcholinesterase | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Cholinesterase | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Cholinesterases; ACHE & BCHE | 1 |
Data from ChEMBL 36 via Core Engine