Compound Detail
CHEMBL520043
ALLOCRYPTOPINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL520043 |
| Name | ALLOCRYPTOPINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYBRYAPKQCZIAE-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.85
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.29
Ki 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2D6 CHEMBL289 | Ki | 6.91 | 6.91 | 122.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 4.01 | 4.01 | 97800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2D6 | Ki | = | 122.0 | nM | 6.91 | Competitive inhibition of CYP2D6 (unknown origin) using dextromethorphan substra... | 26125082 |
| Plasmodium falciparum | IC50 | = | 5080.0 | nM | 5.29 | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... | 11141105 |
| HGC-27 | IC50 | = | 97800.0 | nM | 4.01 | Antiproliferative activity against human HGC-27 cells assessed as reduction in c... | 35286954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10978214 | 10.1021/np990639k | Staphylococcus aureus | 1 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 26125082 | 10.1021/acs.jmedchem.5b00417 | Cytochrome P450 2D6 | 1 |
| 33001647 | 10.1021/acs.jnatprod.0c00564 | Unchecked | 1 |
| 35286954 | 10.1016/j.bmc.2022.116705 | MGC-803 | 1 |
| 35286954 | 10.1016/j.bmc.2022.116705 | HGC-27 | 1 |
| 35286954 | 10.1016/j.bmc.2022.116705 | GES1 | 1 |
| 36921525 | 10.1016/j.ejmech.2023.115268 | Toxocara canis | 1 |
Data from ChEMBL 36 via Core Engine