Compound Detail
CHEMBL486179
PROTOPINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL486179 |
| Name | PROTOPINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAALQOFZFANFTF-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.56
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.14
IC50 2 meas. best 4.47
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | Ki | 7.11 | 7.11 | 78.0 | 1 |
| Ileum CHEMBL613680 | Kd | 6.14 | 5.9633 | 724.4 | 3 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.15 | 4.15 | 70700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | Ki | = | 78.0 | nM | 7.11 | Competitive inhibition of CYP2D6 (unknown origin) using dextromethorphan substra... | 26125082 |
| Ileum | Kd | = | 724.44 | nM | 6.14 | Inhibition of acetylcholine-induced contraction in guinea pig ileum preincubated... | 2904975 |
| Ileum | Kd | = | 1318.26 | nM | 5.88 | Inhibition of acetylcholine-induced contraction in guinea pig ileum preincubated... | 2904975 |
| Ileum | Kd | = | 1348.96 | nM | 5.87 | Inhibition of acetylcholine-induced contraction in guinea pig ileum preincubated... | 2904975 |
| Plasmodium falciparum | IC50 | = | 34000.0 | nM | 4.47 | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... | 11141105 |
| Entamoeba histolytica | IC50 | = | 70700.0 | nM | 4.15 | Antiamnesic activity against Entamoeba histolytica NIH 200 after 72 hrs by micro... | 11141105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6631434 | 10.1021/np50028a006 | Ileum | 4 |
| 2904975 | 10.1021/np50059a043 | Ileum | 4 |
| 6619883 | 10.1021/np50027a004 | Ileum | 3 |
| 22024033 | 10.1016/j.bmcl.2011.09.128 | RAW264.7 | 2 |
| 16562853 | 10.1021/np058114h | 5-hydroxytryptamine receptor 1A | 2 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 26125082 | 10.1021/acs.jmedchem.5b00417 | Cytochrome P450 2D6 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | HCT-15 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | SK-MEL-2 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | SK-OV-3 | 1 |
| 20594848 | 10.1016/j.bmcl.2010.06.035 | A549 | 1 |
| 16562853 | 10.1021/np058114h | Cytochrome P450 3A4 | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| - | 10.1021/np50007a014 | Candida albicans | 1 |
| - | 10.1021/np50007a014 | Mycolicibacterium smegmatis | 1 |
| - | 10.1021/np50007a014 | Klebsiella pneumoniae | 1 |
| - | 10.1021/np50007a014 | Salmonella enterica subsp. enterica serovar Gallinarum | 1 |
| - | 10.1021/np50007a014 | Escherichia coli | 1 |
| - | 10.1021/np50007a014 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine