Compound Detail
CHEMBL274346
JATRORRHIZINE CHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL274346 |
| Name | JATRORRHIZINE CHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKMUUZMCSNHBAX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL251055 |
| Active Moiety | CHEMBL251055 |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
13
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
EC50 2 meas. best 6.03
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.03 | 5.905 | 939.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.08 | 4.08 | 82700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 939.0 | nM | 6.03 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | EC50 | = | 1655.0 | nM | 5.78 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | IC50 | = | 3150.0 | nM | 5.5 | Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... | 11141105 |
| Entamoeba histolytica | IC50 | = | 82700.0 | nM | 4.08 | Antiamnesic activity against Entamoeba histolytica NIH 200 after 72 hrs by micro... | 11141105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24593257 | 10.1021/np400607k | No relevant target | 13 |
| 3286870 | 10.1021/jm00401a006 | Mus musculus | 3 |
| 3286870 | 10.1021/jm00401a006 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 22137340 | 10.1016/j.bmcl.2011.11.041 | Estrogen receptor | 2 |
| 1710653 | 10.1021/np50073a012 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 21295891 | 10.1016/j.ejmech.2011.01.016 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 24593257 | 10.1021/np400607k | Albumin | 1 |
Data from ChEMBL 36 via Core Engine