Compound Detail
CHEMBL1946927
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Basic Information
| ChEMBL ID | CHEMBL1946927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMXCIRVMHPGVCD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
5.14
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.72 | 4.72 | 19100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 5.0 | nM | 8.3 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C2C4 amastigotes in... | 24900706 |
| Plasmodium falciparum | IC50 | = | 4600.0 | nM | 5.34 | Antiplasmodial activity against erythrocytic stage of Plasmodium falciparum K1 a... | 24900706 |
| Leishmania donovani | IC50 | = | 15000.0 | nM | 4.82 | Antitrypanosomal activity against Leishmania donovani MHOM-ET-67/L82 amastigotes... | 24900706 |
| L6 | IC50 | = | 16800.0 | nM | 4.78 | Cytotoxicity against rat L6 cells after 72 hrs by Alamar blue assay | 24900706 |
| Trypanosoma brucei rhodesiense | IC50 | = | 19100.0 | nM | 4.72 | 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