Compound Detail
CHEMBL1946929
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1946929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXJPHZOUDWRHCV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
411.7
MW (Da)
5.23
ALogP
5
HBA
1
HBD
69.0
PSA (Ų)
0.58
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.57 | 4.57 | 27200.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 36.0 | nM | 7.44 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 amastigotes in... | 24900706 |
| Plasmodium falciparum | IC50 | = | 1500.0 | nM | 5.82 | Antiplasmodial activity against erythrocytic stage of Plasmodium falciparum K1 a... | 24900706 |
| Leishmania donovani | IC50 | = | 11400.0 | nM | 4.94 | Antitrypanosomal activity against Leishmania donovani MHOM-ET-67/L82 amastigotes... | 24900706 |
| L6 | IC50 | = | 27200.0 | nM | 4.57 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar blue assay | 24900706 |
| Trypanosoma brucei rhodesiense | IC50 | = | 34000.0 | nM | 4.47 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 trypom... | 24900706 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida albicans | 7 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida | 3 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida parapsilosis | 2 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Candida tropicalis | 2 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Pichia kudriavzevii | 2 |
| 22321993 | 10.1016/j.ejmech.2012.01.034 | Nakaseomyces glabratus | 1 |
| 24900706 | 10.1021/ml400039r | Unchecked | 1 |
| 24900706 | 10.1021/ml400039r | L6 | 1 |
| 24900706 | 10.1021/ml400039r | Plasmodium falciparum | 1 |
| 24900706 | 10.1021/ml400039r | Leishmania donovani | 1 |
| 24900706 | 10.1021/ml400039r | Trypanosoma cruzi | 1 |
| 24900706 | 10.1021/ml400039r | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine