Compound Detail
CHEMBL603622
CYCLOPHOSTIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL603622 |
| Name | CYCLOPHOSTIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMPQJMDGDAAXPE-NPMWZIQKSA-N |
2
Targets
5
Activities
2
Assay Types
1
PK Parameters
9
Publications
0
Known Names
Molecular Properties
234.1
MW (Da)
1.23
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.12
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL2242743 | IC50 | 9.12 | 9.12 | 0.8 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 9.1 | 7.95 | 0.8 | 3 |
| Acetylcholinesterase CHEMBL220 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.003 | hr | Fusarium solani |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 0.76 | nM | 9.12 | Inhibition of housefly CSMA AChE | 26585276 |
| Acetylcholinesterase | IC50 | = | 0.8 | nM | 9.1 | Inhibition of AChE by modified Ellman's spectrophotometric method | 20189400 |
| Acetylcholinesterase | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human AChE at pH 8 | 26585276 |
| Acetylcholinesterase | IC50 | = | 45.0 | nM | 7.35 | Inhibition of AChE (unknown origin) | 26585276 |
| Acetylcholinesterase | Ki | = | 140.0 | nM | 6.85 | Irreversible inhibition of AChE (unknown origin) | 26585276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26585276 | 10.1016/j.bmc.2015.10.044 | Acetylcholinesterase | 5 |
| 23095026 | 10.1021/jm301216x | Cutinase 1 | 3 |
| 23095026 | 10.1021/jm301216x | Unchecked | 2 |
| 20189400 | 10.1016/j.bmc.2010.01.063 | Acetylcholinesterase | 1 |
| 23095026 | 10.1021/jm301216x | Gastric triacylglycerol lipase | 1 |
| 23095026 | 10.1021/jm301216x | Pancreatic lipase-related protein 2 | 1 |
| 23095026 | 10.1021/jm301216x | Pancreatic triacylglycerol lipase | 1 |
| 23095026 | 10.1021/jm301216x | Monoacylglycerol lipase | 1 |
| 25678014 | 10.1016/j.bmc.2015.01.028 | Hormone-sensitive lipase | 1 |
Data from ChEMBL 36 via Core Engine