Compound Detail
CHEMBL442813
MARMESIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL442813 |
| Name | MARMESIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWYSBEAFFPBAQU-LBPRGKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.87
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of AChE by spectrophotometry | 11374978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14738394 | 10.1021/np030417t | Plasmodium falciparum | 2 |
| 14738394 | 10.1021/np030417t | Staphylococcus aureus | 2 |
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 2 |
| 11374978 | 10.1021/np000441w | Acetylcholinesterase | 1 |
| 11678652 | 10.1021/np010288l | Aromatase | 1 |
| 14738394 | 10.1021/np030417t | Candida albicans | 1 |
| 14738394 | 10.1021/np030417t | Cryptococcus neoformans | 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 |
| 24582402 | 10.1016/j.bmc.2014.01.052 | SK-MEL-2 | 1 |
| 24582402 | 10.1016/j.bmc.2014.01.052 | CAKI-1 | 1 |
| 24582402 | 10.1016/j.bmc.2014.01.052 | 1A9 | 1 |
| 24582402 | 10.1016/j.bmc.2014.01.052 | PC-3 | 1 |
| 24582402 | 10.1016/j.bmc.2014.01.052 | MCF7 | 1 |
| 24582402 | 10.1016/j.bmc.2014.01.052 | A549 | 1 |
| 24582402 | 10.1016/j.bmc.2014.01.052 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine