Compound Detail
CHEMBL192627
CHLORANIL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL192627 |
| Name | CHLORANIL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGNWTBMOAKPKBL-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
245.9
MW (Da)
2.52
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.26
IC50 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver carboxylesterase 1 CHEMBL2623 | Ki | 7.26 | 7.26 | 54.8 | 1 |
| Cocaine esterase CHEMBL3180 | Ki | 7.24 | 7.24 | 57.4 | 1 |
| Liver carboxylesterase 1 CHEMBL2265 | Ki | 7.08 | 7.08 | 83.9 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 6.79 | 6.79 | 163.0 | 1 |
| Cholinesterase CHEMBL1914 | Ki | 6.57 | 6.57 | 268.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.65 | 4.65 | 22400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver carboxylesterase 1 | Ki | = | 54.8 | nM | 7.26 | Inhibition constant against rabbit liver carboxylesterase (rCE) using nitropheny... | 15828829 |
| Cocaine esterase | Ki | = | 57.4 | nM | 7.24 | Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nit... | 15828829 |
| Liver carboxylesterase 1 | Ki | = | 83.9 | nM | 7.08 | Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophe... | 15828829 |
| Acetylcholinesterase | Ki | = | 163.0 | nM | 6.79 | Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthio... | 15828829 |
| Cholinesterase | Ki | = | 268.0 | nM | 6.57 | Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylth... | 15828829 |
| Plasmodium falciparum | IC50 | = | 22400.0 | nM | 4.65 | Antimalarial activity against chloroquine-sensitive NF54 isolated Plasmodium fal... | 26638044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828829 | 10.1021/jm049011j | Liver carboxylesterase 1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 2 |
| 20667728 | 10.1016/j.bmcl.2010.06.133 | Trichomonas vaginalis | 2 |
| - | 10.1016/j.cropro.2011.09.009 | Trichoplusia ni | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 2 |
| - | 10.6019/EOS300044 | Replicase polyprotein 1ab | 1 |
| 15828829 | 10.1021/jm049011j | Cocaine esterase | 1 |
| - | 10.6019/EOS300041 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/CHEMBL4495564 | Chymotrypsin | 1 |
| 26638044 | 10.1016/j.ejmech.2015.11.020 | Unchecked | 1 |
| 26638044 | 10.1016/j.ejmech.2015.11.020 | MRC5 | 1 |
| 26638044 | 10.1016/j.ejmech.2015.11.020 | Plasmodium falciparum | 1 |
| 1249812 | 10.1021/jm00224a022 | L1210 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 15828829 | 10.1021/jm049011j | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine