Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | 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 | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
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 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 2, subfamily D, polypeptide 6 | 497 aa | 425 aa | 32.0 % |
Brugia malayi | Cytochrome P450 family protein | cytochrome P450, family 1, subfamily A, polypeptide 2 | 516 aa | 470 aa | 26.2 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium tuberculosis | Possible cytochrome P450 126 Cyp126 | 0.00213675 | 0.269186 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.00295136 | 0.43504 | 0.392411 |
Brugia malayi | Cytochrome P450 family protein | 0.00295136 | 0.43504 | 0.392411 |
Schistosoma mansoni | cytochrome P450 | 0.00213675 | 0.269186 | 0.355448 |
Trypanosoma cruzi | cytochrome P450, putative | 0.00295136 | 0.43504 | 1 |
Schistosoma mansoni | hypothetical protein | 0.00213675 | 0.269186 | 0.355448 |
Mycobacterium tuberculosis | Probable cytochrome P450 137 Cyp137 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium leprae | putative cytochrome p450 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 monooxygenase 142 Cyp142 | 0.00213675 | 0.269186 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.00304322 | 0.453743 | 0.453743 |
Mycobacterium tuberculosis | Probable cytochrome P450 140 Cyp140 | 0.00213675 | 0.269186 | 0.5 |
Schistosoma mansoni | voltage-gated potassium channel | 0.00390936 | 0.630088 | 1 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.00325276 | 0.496405 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 138 Cyp138 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.00295136 | 0.43504 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.00115922 | 0.070162 | 0.070162 |
Mycobacterium tuberculosis | Probable cytochrome P450 130 Cyp130 | 0.00213675 | 0.269186 | 0.5 |
Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.00354585 | 0.556077 | 1 |
Toxoplasma gondii | cytochrome p450 superfamily protein | 0.00213675 | 0.269186 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.00572623 | 1 | 1 |
Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.00325276 | 0.496405 | 0.5 |
Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.00354585 | 0.556077 | 0.556077 |
Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.00354585 | 0.556077 | 1 |
Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.00354585 | 0.556077 | 0.52258 |
Mycobacterium tuberculosis | Probable cytochrome P450 128 Cyp128 | 0.00213675 | 0.269186 | 0.5 |
Schistosoma mansoni | voltage-gated potassium channel | 0.00390936 | 0.630088 | 1 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.00295136 | 0.43504 | 0.43504 |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 139 Cyp139 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 141 Cyp141 | 0.00213675 | 0.269186 | 0.5 |
Echinococcus multilocularis | 0.00213675 | 0.269186 | 0.409587 | |
Mycobacterium tuberculosis | Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Cytochrome P450 121 Cyp121 | 0.00213675 | 0.269186 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.00213675 | 0.269186 | 0.214042 |
Echinococcus granulosus | cytochrome P450 2K1 | 0.00213675 | 0.269186 | 0.409587 |
Mycobacterium tuberculosis | Probable cytochrome P450 125 Cyp125 | 0.00213675 | 0.269186 | 0.5 |
Leishmania major | cytochrome p450-like protein | 0.00295136 | 0.43504 | 1 |
Brugia malayi | cytochrome P450 | 0.00213675 | 0.269186 | 0.214042 |
Mycobacterium tuberculosis | Probable cytochrome P450 143 Cyp143 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 144 Cyp144 | 0.00213675 | 0.269186 | 0.5 |
Trypanosoma brucei | cytochrome P450, putative | 0.00295136 | 0.43504 | 1 |
Loa Loa (eye worm) | CYP4Cod1 | 0.00295136 | 0.43504 | 0.43504 |
Mycobacterium tuberculosis | Possible cytochrome P450 135B1 Cyp135B1 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 135A1 Cyp135A1 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 132 Cyp132 | 0.00213675 | 0.269186 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 123 Cyp123 | 0.00213675 | 0.269186 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 | 0.00213675 | 0.269186 | 0.269186 |
Mycobacterium leprae | Conserved hypothetical protein | 0.00213675 | 0.269186 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.00295136 | 0.43504 | 0.43504 |
Mycobacterium tuberculosis | Probable cytochrome P450 124 Cyp124 | 0.00213675 | 0.269186 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.00572623 | 1 | 1 |
Trypanosoma cruzi | cytochrome P450, putative | 0.00295136 | 0.43504 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (functional) | = 99.4 % | Antimalarial activity against GFP-tagged Plasmodium berghei ANKA infected in NMRI mouse assessed as reduction in parasitemia at 30 mg/kg, po QD administered 24 hrs post infection for 3 days measured on day 4 post infection | ChEMBL. | 21644570 |
Activity (functional) | = 99.4 % | Antimalarial activity against GFP-tagged Plasmodium berghei ANKA infected in NMRI mouse assessed as reduction in parasitemia at 30 mg/kg, po administered as single dose 24 hrs post infection measured 72 hrs post infection | ChEMBL. | 21644570 |
Activity (functional) | = 99.8 % | Antimalarial activity against GFP-tagged Plasmodium berghei ANKA infected in NMRI mouse assessed as mouse survival at 100 mg/kg, po administered as single dose 24 hrs post infection measured on day 30 post infection | ChEMBL. | 21644570 |
AUC (ADMET) | = 7003 nM.hr | AUC (0 to infinity) in male BALB/c mouse at 5 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21644570 |
AUC (ADMET) | = 31758 nM.hr | AUC (0 to infinity) in male BALB/c mouse at 20 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21644570 |
CL (ADMET) | = 27.7 ml/min.kg | Clearance in male BALB/c mouse at 5 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21644570 |
Cmax (ADMET) | = 1940 nM | Cmax in male BALB/c mouse at 20 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21644570 |
ED99 (functional) | = 26.5 mg kg-1 | Antimalarial activity against Plasmodium berghei ANKA expressing GFP infected in po dosed NMRI mouse assessed as reduction of parasite level in blood administered 24 hrs post infection measured after 72 hrs post infection by flow cytometry | ChEMBL. | 22524250 |
F (ADMET) | = 76 % | Oral bioavailability in male BALB/c mouse at 20 mg/kg by LC/MS/MS analysis | ChEMBL. | 21644570 |
IC50 (functional) | = 36 nM | Antimalarial activity against Plasmodium falciparum W2 infected in human erythrocytes assessed as decrease in parasitemia after 72 hrs | ChEMBL. | 21644570 |
IC50 (functional) | = 44 nM | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythrocytes assessed as decrease in parasitemia after 72 hrs | ChEMBL. | 21644570 |
IC50 (binding) | = 4.8 uM | Inhibition of human ERG expressed in CHO cells by Q-patch assay | ChEMBL. | 21644570 |
IC50 (ADMET) | > 8.9 uM | Inhibition of CYP 3A4 | ChEMBL. | 21644570 |
IC50 (ADMET) | > 8.9 uM | Inhibition of CYP 2D6 | ChEMBL. | 21644570 |
IC50 (ADMET) | > 8.9 uM | Inhibition of CYP 2C9 | ChEMBL. | 21644570 |
IC50 (ADMET) | > 8.9 uM | Inhibition of CYP 2C19 | ChEMBL. | 21644570 |
IC50 (ADMET) | > 8.9 uM | Inhibition of CYP 1A2 | ChEMBL. | 21644570 |
Papp (ADMET) | = 0.14 10'6cm/s | Apparent permeability from apical to basolateral side in human Caco2 cells by LC/MS analysis | ChEMBL. | 21644570 |
Papp (ADMET) | = 1.03 10'6cm/s | Apparent permeability from basolateral to apical side in human Caco2 cells by LC/MS analysis | ChEMBL. | 21644570 |
Survival (functional) | = 7.7 day | Antimalarial activity against GFP-tagged Plasmodium berghei ANKA infected in NMRI mouse assessed as reduction in parasitemia at 100 mg/kg, po administered as single dose 24 hrs post infection measured 72 hrs post infection | ChEMBL. | 21644570 |
Survival (functional) | = 17 day | Antimalarial activity against GFP-tagged Plasmodium berghei ANKA infected in NMRI mouse assessed as mouse survival at 30 mg/kg, po administered as single dose 24 hrs post infection measured on day 30 post infection | ChEMBL. | 21644570 |
Survival (functional) | = 17.7 day | Antimalarial activity against GFP-tagged Plasmodium berghei ANKA infected in NMRI mouse assessed as mouse survival at 30 mg/kg, po QD administered 24 hrs post infection for 3 days measured on day 30 post infection | ChEMBL. | 21644570 |
T1/2 (ADMET) | = 7.7 hr | Half-life in male BALB/c mouse at 5 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21644570 |
T1/2 (ADMET) | = 7.7 hr | Half life in male BALB/c mouse at 20 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21644570 |
TC50 (ADMET) | > 12 uM | Cytotoxicity against human HeLa cells | ChEMBL. | 21644570 |
TC50 (ADMET) | > 12 uM | Cytotoxicity against human Hep2 cells | ChEMBL. | 21644570 |
TC50 (ADMET) | > 12 uM | Cytotoxicity against mouse BAF3 cells | ChEMBL. | 21644570 |
TC50 (ADMET) | > 12 uM | Cytotoxicity against human 293T cells | ChEMBL. | 21644570 |
TC50 (ADMET) | > 12 uM | Cytotoxicity against human HuH7 cells | ChEMBL. | 21644570 |
Tmax (ADMET) | = 1.67 hr | Tmax in male BALB/c mouse at 20 mg/kg, po by LC/MS/MS analysis | ChEMBL. | 21644570 |
Vd (ADMET) | = 14 L/Kg | Volume of distribution in male BALB/c mouse at 5 mg/kg, iv by LC/MS/MS analysis | ChEMBL. | 21644570 |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Plasmodium falciparum | ChEMBL23 | 21644570 |
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.