Compound Detail
CHEMBL490509
DEHYDRODISCRETINE CHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL490509 |
| Name | DEHYDRODISCRETINE CHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEGFSKDAZKTAPO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL220527 |
| Active Moiety | CHEMBL220527 |
2
Targets
2
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 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.19 | 6.19 | 639.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.17 | 4.17 | 66900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 639.0 | nM | 6.19 | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... | 11141105 |
| Entamoeba histolytica | IC50 | = | 66900.0 | nM | 4.17 | Antiamnesic activity against Entamoeba histolytica NIH 200 after 72 hrs by micro... | 11141105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19800225 | 10.1016/j.bmcl.2009.09.059 | HepG2 | 2 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
Data from ChEMBL 36 via Core Engine