Compound Detail
CHEMBL1770313
CYCLOMORUSIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1770313 |
| Name | CYCLOMORUSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDQXJMLXEYSICD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
5.46
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Ki 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of BuChE (unknown origin) | - |
| Acetylcholinesterase | Ki | = | 3100.0 | nM | 5.51 | Inhibition of AChE (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27908762 | 10.1016/j.bmcl.2016.11.046 | Mus musculus | 5 |
| 27908762 | 10.1016/j.bmcl.2016.11.046 | RAW264.7 | 5 |
| 27908762 | 10.1016/j.bmcl.2016.11.046 | NON-PROTEIN TARGET | 3 |
| 21511472 | 10.1016/j.bmcl.2011.03.060 | Beta-secretase 1 | 1 |
| - | 10.1007/s00044-012-0353-y | Cholinesterase | 1 |
| - | 10.1007/s00044-012-0353-y | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine