Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma cruzi | ISWI complex protein | 0.0017 | 0 | 0.5 |
Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0019 | 0.0294 | 0.0366 |
Trypanosoma brucei | ISWI complex protein | 0.0017 | 0 | 0.5 |
Echinococcus granulosus | fetal alzheimer antigen falz | 0.0025 | 0.1214 | 0.1287 |
Leishmania major | hypothetical protein, conserved | 0.0017 | 0 | 0.5 |
Schistosoma mansoni | methyl-cpg binding protein mbd | 0.0019 | 0.0294 | 0.0366 |
Brugia malayi | Bromodomain containing protein | 0.0042 | 0.3853 | 0.2673 |
Trypanosoma cruzi | ISWI complex protein | 0.0017 | 0 | 0.5 |
Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0019 | 0.0294 | 0.0366 |
Schistosoma mansoni | zinc finger protein | 0.0021 | 0.0717 | 0.0891 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.4581 | 0.4769 |
Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0025 | 0.1214 | 0.1287 |
Loa Loa (eye worm) | hypothetical protein | 0.0045 | 0.4261 | 0.4413 |
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0039 | 0.3456 | 0.4427 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0065 | 0.7437 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0023 | 0.0894 | 0.1112 |
Schistosoma mansoni | bromodomain containing protein | 0.0069 | 0.8037 | 1 |
Echinococcus multilocularis | zinc finger protein | 0.0021 | 0.0717 | 0.0592 |
Loa Loa (eye worm) | PHD-finger family protein | 0.0023 | 0.0894 | 0.0667 |
Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0025 | 0.1214 | 0.151 |
Loa Loa (eye worm) | bromodomain containing protein | 0.0019 | 0.0397 | 0.0114 |
Loa Loa (eye worm) | hypothetical protein | 0.0042 | 0.3864 | 0.3972 |
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0065 | 0.7437 | 1 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0039 | 0.3456 | 0.4427 |
Schistosoma mansoni | methyl-cpg binding protein mbd | 0.0019 | 0.0294 | 0.0366 |
Echinococcus granulosus | zinc finger protein | 0.0021 | 0.0717 | 0.0592 |
Loa Loa (eye worm) | hypothetical protein | 0.0077 | 0.9283 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (functional) | = 0.604 uM | DNDI | DNDI. | No reference |
IC50 (functional) | > 1 uM | DNDI: Chagas in Vitro | ChEMBL. | No reference |
IC50 (functional) | = 2.16 uM | DNDI: Leish (macro) in Vitro | ChEMBL. | No reference |
IC50 (ADMET) | = 5.83 uM | DNDI: Human CYP3A4 inhibition determined using 6b-hydroxylation of testosterone | ChEMBL. | No reference |
IC50 (functional) | = 8 uM | DNDI: Leish (macro) in Vitro | ChEMBL. | No reference |
IC50 | = 29.37 uM | DNDI: Cytotoxicity in vitro, against human lung fibroblast (MRC-5) cells | ChEMBL. | No reference |
IC90 (functional) | > 1 uM | DNDI: Chagas in Vitro | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Trypanosoma brucei gambiense | |||
Leishmania infantum | ChEMBL23 | ||
Trypanosoma cruzi | ChEMBL23 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.