Compound Detail
CHEMBL491511
COLUMBAMINE CHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL491511 |
| Name | COLUMBAMINE CHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDUDGYVKQSKHQG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL400345 |
| Active Moiety | CHEMBL400345 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.08
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.72 | 5.72 | 1920.0 | 1 |
| KB CHEMBL398 | IC50 | 4.11 | 4.11 | 77900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1920.0 | nM | 5.72 | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... | 11141105 |
| KB | IC50 | = | 77900.0 | nM | 4.11 | Cytotoxicity against human KB cells after 72 hrs | 11141105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| 23058107 | 10.1016/j.bmc.2012.09.029 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine