Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 1, subfamily A, polypeptide 2 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | Starlite/ChEMBL | References |
Homo sapiens | dopamine receptor D4 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Leishmania major | fatty acid desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0207 | 0.0783 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.004 | 0.0054 | 0.006 |
Echinococcus granulosus | Sphingolipid delta4 desaturase DES1 | 0.0207 | 0.0783 | 0.5 |
Brugia malayi | acyl-CoA desaturase | 0.2113 | 0.9096 | 1 |
Echinococcus multilocularis | Fatty acid desaturase, type 1 | 0.0207 | 0.0783 | 0.5 |
Trypanosoma brucei | cytochrome b5-dependent oleate desaturase | 0.0207 | 0.0783 | 0.0783 |
Mycobacterium tuberculosis | Probable conserved membrane protein | 0.0207 | 0.0783 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.2113 | 0.9096 | 0.9096 |
Trypanosoma brucei | fatty acid desaturase, putative | 0.232 | 1 | 1 |
Onchocerca volvulus | 0.232 | 1 | 1 | |
Mycobacterium tuberculosis | Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f | 0.0207 | 0.0783 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.2113 | 0.9096 | 0.9096 |
Mycobacterium ulcerans | electron transfer protein FdxB | 0.0207 | 0.0783 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0207 | 0.0783 | 0.0861 |
Loa Loa (eye worm) | fatty acid desaturase | 0.0207 | 0.0783 | 0.0861 |
Trypanosoma brucei | delta-6 fatty acid desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Leishmania major | delta-5 fatty acid desaturase | 0.0207 | 0.0783 | 0.0783 |
Leishmania major | delta-4 fatty acid desaturase | 0.0207 | 0.0783 | 0.0783 |
Leishmania major | delta-6 fatty acid desaturase | 0.0207 | 0.0783 | 0.0783 |
Trypanosoma cruzi | delta-4 fatty acid desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Onchocerca volvulus | 0.232 | 1 | 1 | |
Leishmania major | fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Leishmania major | fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.232 | 1 | 1 |
Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0207 | 0.0783 | 0.5 |
Schistosoma mansoni | fatty acid desaturase | 0.0207 | 0.0783 | 0.5 |
Leishmania major | fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Loa Loa (eye worm) | acyl-CoA desaturase | 0.2113 | 0.9096 | 1 |
Mycobacterium tuberculosis | Possible electron transfer protein FdxB | 0.0207 | 0.0783 | 0.5 |
Brugia malayi | Delta5 fatty acid desaturase | 0.0207 | 0.0783 | 0.0861 |
Leishmania major | fatty-acid desaturase, putative | 0.232 | 1 | 1 |
Leishmania major | fatty acid desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Trypanosoma cruzi | cytochrome b5-dependent oleate desaturase | 0.0207 | 0.0783 | 0.0783 |
Brugia malayi | Cytochrome P450 family protein | 0.004 | 0.0054 | 0.006 |
Trypanosoma brucei | delta-4 fatty acid desaturase | 0.0207 | 0.0783 | 0.0783 |
Trypanosoma brucei | sphingolipid delta 4 desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.2113 | 0.9096 | 0.5 |
Mycobacterium ulcerans | transmembrane alkane 1-monooxygenase AlkB | 0.0207 | 0.0783 | 1 |
Brugia malayi | Fatty acid desaturase family protein | 0.0207 | 0.0783 | 0.0861 |
Loa Loa (eye worm) | FAT-3 protein | 0.0207 | 0.0783 | 0.0861 |
Leishmania major | delta-12 fatty acid desaturase | 0.0207 | 0.0783 | 0.0783 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0207 | 0.0783 | 1 |
Brugia malayi | Fatty acid desaturase family protein | 0.0207 | 0.0783 | 0.0861 |
Leishmania major | fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Trypanosoma cruzi | delta-4 fatty acid desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3_2 | 0.0207 | 0.0783 | 1 |
Toxoplasma gondii | sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein | 0.0207 | 0.0783 | 0.5 |
Trypanosoma cruzi | fatty acid desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Mycobacterium ulcerans | hypothetical protein | 0.0207 | 0.0783 | 1 |
Loa Loa (eye worm) | fatty acid desaturase | 0.0207 | 0.0783 | 0.0861 |
Plasmodium falciparum | stearoyl-CoA desaturase | 0.2113 | 0.9096 | 0.5 |
Mycobacterium ulcerans | hypothetical protein | 0.0207 | 0.0783 | 1 |
Echinococcus granulosus | Fatty acid desaturase type 1 | 0.0207 | 0.0783 | 0.5 |
Trypanosoma cruzi | sphingolipid delta 4 desaturase, putative | 0.0207 | 0.0783 | 0.0783 |
Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0207 | 0.0783 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (binding) | = 68 % | Binding affinity to norepinephrine transporter (unknown origin) at 10 uM by radioligand binding assay | ChEMBL. | 25221667 |
Activity (binding) | = 72 % | Binding affinity to dopamine transporter (unknown origin) at 10 uM by radioligand binding assay | ChEMBL. | 25221667 |
Activity (binding) | = 77 % | Binding affinity to adrenergic alpha1A receptor (unknown origin) at 10 uM by radioligand binding assay | ChEMBL. | 25221667 |
Activity (binding) | = 93 % | Binding affinity to histamine H1 receptor (unknown origin) at 10 uM by radioligand binding assay | ChEMBL. | 25221667 |
Activity (binding) | = 99 % | Binding affinity to sigma 1 receptor (unknown origin) at 10 uM by radioligand binding assay | ChEMBL. | 25221667 |
IC50 (binding) | = 0.13 uM | Inhibition of human dopamine D4 receptor | ChEMBL. | 25221667 |
IC50 (ADMET) | = 4.8 uM | Inhibition of human CYP2C9 by electrospray ionization | ChEMBL. | 25221667 |
IC50 (ADMET) | = 12 uM | Inhibition of human CYP2D6 by electrospray ionization | ChEMBL. | 25221667 |
IC50 (ADMET) | = 13.1 uM | Inhibition of human CYP1A2 by electrospray ionization | ChEMBL. | 25221667 |
IC50 (ADMET) | = 15.6 uM | Inhibition of human CYP3A4 by electrospray ionization | ChEMBL. | 25221667 |
IC50 (functional) | 20 uM | PubChem BioAssay. Counterscreening of D4 Antagonists against Dopamine 2L (Human), Confirmatory Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
IC50 (functional) | 20 uM | PubChem BioAssay. Counterscreening of D4 Antagonists against Dopamine 2S (Human), Confirmatory Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
IC50 (functional) | 20 uM | PubChem BioAssay. Counterscreening of D4 Antagonists against Dopamine 5 DRD5 (Human), Confirmatory Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
INH (binding) | > 20 uM | Inhibition of human dopamine D5 receptor | ChEMBL. | 25221667 |
INH (binding) | > 20 uM | Inhibition of human dopamine D2S receptor | ChEMBL. | 25221667 |
INH (binding) | > 20 uM | Inhibition of human dopamine D2L receptor | ChEMBL. | 25221667 |
INH (binding) | > 20 uM | Inhibition of human dopamine D3 receptor | ChEMBL. | 25221667 |
INH (binding) | > 20 uM | Inhibition of human dopamine D1 receptor | ChEMBL. | 25221667 |
Inhibition (binding) | = 96 % | Inhibition of human dopamine D4 receptor at 10 uM | ChEMBL. | 25221667 |
Ki (binding) | = 0.036 uM | Inhibition of human dopamine D4 receptor | ChEMBL. | 25221667 |
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.
1 literature reference was collected for this gene.