Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | nuclear receptor subfamily 1, group I, member 2 | References | |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | References | |
Homo sapiens | diacylglycerol lipase, alpha | References | |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 19 | References | |
Homo sapiens | cytochrome P450, family 2, subfamily D, polypeptide 6 | References | |
Homo sapiens | diacylglycerol lipase, beta | References | |
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | 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 % |
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Brugia malayi | ecdysteroid receptor | nuclear receptor subfamily 1, group I, member 2 | 434 aa | 427 aa | 25.1 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Leishmania major | cytochrome p450-like protein | cytochrome P450, family 2, subfamily C, polypeptide 19 | 490 aa | 411 aa | 23.1 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium tuberculosis | Probable cytochrome P450 132 Cyp132 | 0.0017 | 0.0147 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0028 | 0.0464 | 0.0322 |
Mycobacterium leprae | putative cytochrome p450 | 0.0017 | 0.0147 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 138 Cyp138 | 0.0017 | 0.0147 | 0.5 |
Trypanosoma brucei | lipase domain protein, putative | 0.0346 | 1 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 125 Cyp125 | 0.0017 | 0.0147 | 0.5 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0028 | 0.0464 | 0.0464 |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | 0.0017 | 0.0147 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 139 Cyp139 | 0.0017 | 0.0147 | 0.5 |
Leishmania major | cytochrome p450-like protein | 0.0028 | 0.0464 | 0.0322 |
Mycobacterium tuberculosis | Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) | 0.0017 | 0.0147 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 123 Cyp123 | 0.0017 | 0.0147 | 0.5 |
Brugia malayi | cytochrome P450 | 0.0017 | 0.0147 | 0.0147 |
Mycobacterium tuberculosis | Possible cytochrome P450 126 Cyp126 | 0.0017 | 0.0147 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 monooxygenase 142 Cyp142 | 0.0017 | 0.0147 | 0.5 |
Trichomonas vaginalis | lipase containing protein, putative | 0.0346 | 1 | 0.5 |
Toxoplasma gondii | cytochrome p450 superfamily protein | 0.0017 | 0.0147 | 0.5 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0028 | 0.0464 | 1 |
Onchocerca volvulus | 0.0346 | 1 | 1 | |
Trypanosoma brucei | lipase domain protein, putative | 0.0346 | 1 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 124 Cyp124 | 0.0017 | 0.0147 | 0.5 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0028 | 0.0464 | 0.0322 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0028 | 0.0464 | 0.0464 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0028 | 0.0464 | 0.0464 |
Echinococcus multilocularis | 0.0017 | 0.0147 | 0.0147 | |
Echinococcus multilocularis | sn1 specific diacylglycerol lipase beta | 0.0346 | 1 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 141 Cyp141 | 0.0017 | 0.0147 | 0.5 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0346 | 1 | 1 |
Loa Loa (eye worm) | cytochrome P450 | 0.0017 | 0.0147 | 0.0147 |
Brugia malayi | Cytochrome P450 family protein | 0.0028 | 0.0464 | 0.0464 |
Mycobacterium leprae | Conserved hypothetical protein | 0.0017 | 0.0147 | 0.5 |
Echinococcus granulosus | sn1 specific diacylglycerol lipase beta | 0.0346 | 1 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 128 Cyp128 | 0.0017 | 0.0147 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.0028 | 0.0464 | 0.0464 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0346 | 1 | 1 |
Brugia malayi | Cytochrome P450 family protein | 0.0017 | 0.0147 | 0.0147 |
Mycobacterium tuberculosis | Probable cytochrome P450 144 Cyp144 | 0.0017 | 0.0147 | 0.5 |
Mycobacterium tuberculosis | Probable cytochrome P450 130 Cyp130 | 0.0017 | 0.0147 | 0.5 |
Leishmania major | hypothetical protein, conserved | 0.0346 | 1 | 1 |
Echinococcus granulosus | cytochrome P450 2K1 | 0.0017 | 0.0147 | 0.0147 |
Mycobacterium tuberculosis | Possible cytochrome P450 135B1 Cyp135B1 | 0.0017 | 0.0147 | 0.5 |
Trichomonas vaginalis | lipase containing protein, putative | 0.0346 | 1 | 0.5 |
Mycobacterium tuberculosis | Possible cytochrome P450 135A1 Cyp135A1 | 0.0017 | 0.0147 | 0.5 |
Brugia malayi | Cytochrome P450 family protein | 0.0063 | 0.1529 | 0.1529 |
Mycobacterium tuberculosis | Cytochrome P450 121 Cyp121 | 0.0017 | 0.0147 | 0.5 |
Trypanosoma brucei | cytochrome P450, putative | 0.0028 | 0.0464 | 0.0322 |
Mycobacterium tuberculosis | Probable cytochrome P450 140 Cyp140 | 0.0017 | 0.0147 | 0.5 |
Loa Loa (eye worm) | lipase | 0.0346 | 1 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 143 Cyp143 | 0.0017 | 0.0147 | 0.5 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0063 | 0.1529 | 0.1529 |
Schistosoma mansoni | cytochrome P450 | 0.0017 | 0.0147 | 1 |
Mycobacterium tuberculosis | Probable cytochrome P450 137 Cyp137 | 0.0017 | 0.0147 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0017 | 0.0147 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (ADMET) | = 140 % | Transactivation of human PXR expressed in human HepG2 cells after 15 mins by luciferase reporter gene assay | ChEMBL. | 26917221 |
AUC (ADMET) | = 173 nM.hr | AUC(infinity) in mouse at 1 mg/kg, iv | ChEMBL. | 26917221 |
AUC (ADMET) | = 1516 nM.hr | AUC(infinity) in mouse at 10 mg/kg, po | ChEMBL. | 26917221 |
AUC (ADMET) | = 5784 nM.hr | AUC(infinity) in mouse at 10 mg/kg, ip | ChEMBL. | 26917221 |
CL (ADMET) | = 168.7 ml/min.kg | Clearance in mouse at 1 mg/kg, iv | ChEMBL. | 26917221 |
Cmax (ADMET) | = 274 nM | Cmax in mouse at 1 mg/kg, iv | ChEMBL. | 26917221 |
Cmax (ADMET) | = 941 nM | Cmax in mouse at 10 mg/kg, po | ChEMBL. | 26917221 |
Cmax (ADMET) | = 2863 nM | Cmax in mouse at 10 mg/kg, ip | ChEMBL. | 26917221 |
EC50 (ADMET) | = 3 uM | Transactivation of human PXR expressed in human HepG2 cells after 15 mins by luciferase reporter gene assay | ChEMBL. | 26917221 |
F (ADMET) | = 88 % | Oral bioavailability in mouse at 10 mg/kg | ChEMBL. | 26917221 |
F (ADMET) | = 100 % | Bioavailability in mouse at 10 mg/kg, ip | ChEMBL. | 26917221 |
IC50 (binding) | = 0.6 nM | Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane using DAG as substrate incubated for 20 mins by LC-MS analysis | ChEMBL. | 26917221 |
IC50 (binding) | = 37 nM | Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellular 2-AG level incubated for 20 mins by LC-MS analysis | ChEMBL. | 26917221 |
IC50 (binding) | = 40 nM | Inhibition of DAGLbeta (unknown origin) | ChEMBL. | 26917221 |
IC50 (ADMET) | = 3 uM | Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins by LC-MS analysis | ChEMBL. | 26917221 |
IC50 (ADMET) | = 9 uM | Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate incubated for 5 mins by LC-MS analysis | ChEMBL. | 26917221 |
IC50 (ADMET) | = 9 uM | Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate incubated for 5 mins by LC-MS analysis | ChEMBL. | 26917221 |
IC50 (ADMET) | = 13 uM | Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 7 mins by LC-MS analysis | ChEMBL. | 26917221 |
Inhibition (binding) | Inhibition of porcine pancreatic lipase at 30 uM | ChEMBL. | 26917221 | |
Inhibition (binding) | Inhibition of MAGL (unknown origin) at 30 uM | ChEMBL. | 26917221 | |
Ratio IC50 (binding) | = 74 | Ratio of IC50 for full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells assessed as reduction in intracellular 2-AG level to IC50 for full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cell membrane | ChEMBL. | 26917221 |
T1/2 (ADMET) | = 0.58 hr | Half life in mouse at 1 mg/kg, iv | ChEMBL. | 26917221 |
T1/2 (ADMET) | = 0.99 hr | Half life in mouse at 10 mg/kg, po | ChEMBL. | 26917221 |
T1/2 (ADMET) | = 1.33 hr | Half life in mouse at 10 mg/kg, ip | ChEMBL. | 26917221 |
Tmax (ADMET) | = 0.5 hr | Tmax in mouse at 10 mg/kg, po | ChEMBL. | 26917221 |
Tmax (ADMET) | = 0.63 hr | Tmax in mouse at 10 mg/kg, ip | ChEMBL. | 26917221 |
Vdss (ADMET) | = 7.42 L/Kg | Volume of distribution at steady state in mouse at 1 mg/kg, iv | ChEMBL. | 26917221 |
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.