Detailed information for compound 369359

Basic information

Technical information
  • TDR Targets ID: 369359
  • Name: 1-(3,5-dimethylphenyl)-N-methoxy-3-(4-pyridin -2-ylpiperazin-1-yl)propan-1-imine
  • MW: 352.473 | Formula: C21H28N4O
  • H donors: 0 H acceptors: 1 LogP: 3.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C(\c1cc(C)cc(c1)C)/CCN1CCN(CC1)c1ccccn1
  • InChi: 1S/C21H28N4O/c1-17-14-18(2)16-19(15-17)20(23-26-3)7-9-24-10-12-25(13-11-24)21-6-4-5-8-22-21/h4-6,8,14-16H,7,9-13H2,1-3H3/b23-20-
  • InChiKey: UDNPRGGEWJCFBY-ATJXCDBQSA-N  


Substructure search Similarity search

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Synonyms

  • 1-(3,5-dimethylphenyl)-N-methoxy-3-[4-(2-pyridyl)piperazin-1-yl]propan-1-imine
  • 1-(3,5-dimethylphenyl)-N-methoxy-3-[4-(2-pyridyl)-1-piperazinyl]-1-propanimine
  • (Z)-[1-(3,5-dimethylphenyl)-3-[4-(2-pyridyl)piperazino]propylidene]-methoxy-amine
  • (Z)-[1-(3,5-dimethylphenyl)-3-[4-(2-pyridyl)piperazin-1-yl]propylidene]-methoxy-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D4 Starlite/ChEMBL References
Homo sapiens dopamine receptor D2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1328 0.1283
Brugia malayi ABC transporter 0.0037 0.029 0.0837
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0062 0.0656 0.2122
Toxoplasma gondii facilitative glucose transporter GT1 0.0107 0.1328 0.4478
Echinococcus granulosus ATP binding cassette sub family B 0.0036 0.0271 0.022
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.0656 0.2122
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0088 0.0128
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0037 0.029 0.0837
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0088 0.0128
Echinococcus multilocularis aldehyde reductase 0.0152 0.1986 0.1968
Brugia malayi NADH-dependent xylose reductase 0.0062 0.0656 0.2122
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0088 0.0128
Giardia lamblia Multidrug resistance-associated protein Mrp2 0.0036 0.0271 0.0769
Echinococcus multilocularis aldo keto reductase 0.0214 0.2902 0.29
Giardia lamblia ABC transporter, putative 0.0037 0.029 0.0837
Onchocerca volvulus 0.0214 0.2902 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0233 0.0772
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.4247 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0083 0.0111
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0668 0.1573
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0083 0.0966 0.3208
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Brugia malayi ABC transporter transmembrane region family protein 0.0037 0.029 0.0837
Loa Loa (eye worm) hypothetical protein 0.0037 0.029 0.0682
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0037 0.029 0.0837
Echinococcus granulosus multidrug resistance associated protein 1 0.0037 0.029 0.024
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0233 0.0772
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0119 0.1496 0.5068
Giardia lamblia MRP-like ABC transporter 0.0037 0.029 0.0837
Trypanosoma cruzi multidrug resistance protein E, putative 0.0037 0.029 0.0968
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0119 0.1496 0.5068
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0119 0.1496 0.1452
Entamoeba histolytica P-glycoprotein-2 0.0119 0.1496 0.5068
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.1496 0.5068
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0037 0.029 0.0837
Loa Loa (eye worm) oxidoreductase 0.0214 0.2902 0.6833
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0037 0.029 0.0837
Trichomonas vaginalis abcb9, putative 0.0119 0.1496 0.5068
Toxoplasma gondii ABC transporter family protein 0.0037 0.029 0.0837
Leishmania major glucose transporter, lmgt3 0.0033 0.0233 0.0637
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.0966 0.0919
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Echinococcus multilocularis aldo keto reductase 0.0214 0.2902 0.29
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Entamoeba histolytica P-glycoprotein-2 0.0119 0.1496 0.5068
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0214 0.2902 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0037 0.029 0.0568
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0037 0.029 0.0837
Schistosoma mansoni aldo-keto reductase 0.0214 0.2902 0.6794
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0233 0.0637
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0637
Schistosoma mansoni multidrug resistance protein 0.0037 0.029 0.0568
Loa Loa (eye worm) oxidoreductase 0.0214 0.2902 0.6833
Echinococcus granulosus multidrug resistance associated protein 7 0.0037 0.029 0.024
Schistosoma mansoni hypothetical protein 0.0305 0.4247 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0668 0.062
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0062 0.0656 0.2122
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0233 0.0637
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0037 0.029 0.0968
Plasmodium vivax ABC transporter B family member 3, putative 0.0037 0.029 0.1937
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0037 0.029 0.1937
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0088 0.0128
Trypanosoma cruzi aldo/keto reductase, putative 0.0062 0.0656 0.2236
Brugia malayi P-glycoprotein-like protein 0.0037 0.029 0.0837
Schistosoma mansoni hypothetical protein 0.0181 0.2414 0.5631
Entamoeba histolytica P-glycoprotein 5, putative 0.0036 0.0271 0.0769
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.0656 0.2122
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0668 0.147
Plasmodium falciparum ABC transporter B family member 6, putative 0.0037 0.029 0.1937
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0051 0.0144
Onchocerca volvulus 0.0214 0.2902 1
Trypanosoma brucei p-glycoprotein 0.0037 0.029 0.0837
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0163 0.0391
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.0302
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0668 0.2163
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.1496 0.5068
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0233 0.0637
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0233 0.0637
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0214 0.2902 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.0302
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Entamoeba histolytica ABC transporter, putative 0.0037 0.029 0.0837
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0207
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Plasmodium falciparum multidrug resistance-associated protein 2 0.0037 0.029 0.1937
Mycobacterium tuberculosis Conserved protein 0.0062 0.0656 0.2262
Onchocerca volvulus 0.0214 0.2902 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0119 0.1496 0.5068
Schistosoma mansoni hypothetical protein 0.0181 0.2414 0.5631
Loa Loa (eye worm) hypothetical protein 0.0119 0.1496 0.3522
Echinococcus multilocularis geminin 0.0181 0.2414 0.2404
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.1496 0.5068
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Loa Loa (eye worm) ABC transporter 0.0037 0.029 0.0682
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0119 0.1496 0.5068
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Trichomonas vaginalis ABC transporter, putative 0.0119 0.1496 0.5068
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0037 0.029 0.0999
Mycobacterium ulcerans hypothetical protein 0.0062 0.0656 0.2262
Brugia malayi TAR-binding protein 0.0063 0.0668 0.2163
Entamoeba histolytica ATP-binding cassette protein, putative 0.0037 0.029 0.0837
Entamoeba histolytica P-glycoprotein-1 0.0119 0.1496 0.5068
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0037 0.029 0.1937
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0037 0.029 0.0999
Schistosoma mansoni multidrug resistance protein 0.0119 0.1496 0.3443
Echinococcus granulosus aldo keto reductase 0.0214 0.2902 0.2865
Echinococcus granulosus multidrug resistance protein 1 0.0119 0.1496 0.1452
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0037 0.029 0.0837
Loa Loa (eye worm) oxidoreductase 0.0214 0.2902 0.6833
Leishmania major glucose transporter, lmgt2 0.0033 0.0233 0.0637
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0088 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.0656 0.2122
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0163 0.0391
Trypanosoma brucei aldo/keto reductase, putative 0.0062 0.0656 0.2122
Plasmodium vivax multidrug resistance protein 1, putative 0.0119 0.1496 1
Echinococcus multilocularis conserved hypothetical protein 0.0686 0.988 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Loa Loa (eye worm) hypothetical protein 0.0029 0.0163 0.0383
Entamoeba histolytica P-glycoprotein 5, putative 0.0119 0.1496 0.5068
Echinococcus multilocularis multidrug resistance protein 1 0.0083 0.0966 0.093
Schistosoma mansoni hypothetical protein 0.0107 0.1328 0.3042
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0083 0.0111
Echinococcus granulosus multidrug resistance protein 1 0.0119 0.1496 0.1452
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0037 0.029 0.0718
Entamoeba histolytica P-glycoprotein-2, putative 0.0119 0.1496 0.5068
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0214 0.2902 1
Plasmodium falciparum multidrug resistance-associated protein 1 0.0037 0.029 0.1937
Echinococcus granulosus aldo keto reductase 0.0214 0.2902 0.2865
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0214 0.2902 1
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0037 0.029 0.0999
Plasmodium vivax aldehyde reductase, putative 0.0062 0.0656 0.4387
Giardia lamblia Aldose reductase 0.0214 0.2902 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0037 0.029 0.0837
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0037 0.029 0.0837
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0037 0.029 0.0837
Echinococcus multilocularis ATP binding cassette sub family B 0.0037 0.029 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0668 0.147
Entamoeba histolytica multidrug resistance protein, putative 0.0037 0.029 0.0837
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0668 0.147
Brugia malayi ABC transporter transmembrane region family protein 0.0037 0.029 0.0837
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0119 0.1496 0.5068
Echinococcus granulosus multidrug resistance protein 1 0.0119 0.1496 0.1452
Giardia lamblia Hypothetical protein 0.0036 0.0271 0.0769
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0062 0.0656 0.4387
Echinococcus granulosus ATP binding cassette sub family B 0.0037 0.029 0.024
Loa Loa (eye worm) ABC transporter 0.0037 0.029 0.0682
Schistosoma mansoni potassium channel beta 0.0062 0.0656 0.1442
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0037 0.029 0.0999
Echinococcus granulosus aldehyde reductase 0.0152 0.1986 0.1945
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0037 0.029 0.0837
Brugia malayi ABC transporter family protein 0.0119 0.1496 0.5068
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.1328 0.1299
Toxoplasma gondii aldose reductase, putative 0.0214 0.2902 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0233 0.0637
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0037 0.029 0.0999
Echinococcus multilocularis General substrate transporter 0.0092 0.1105 0.1072
Plasmodium falciparum aldehyde reductase, putative 0.0062 0.0656 0.4387
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0119 0.1496 0.5068
Mycobacterium tuberculosis Probable oxidoreductase 0.0214 0.2902 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Loa Loa (eye worm) hypothetical protein 0.0037 0.029 0.0682
Onchocerca volvulus 0.0214 0.2902 1
Trichomonas vaginalis ABC transporter, putative 0.0119 0.1496 0.5068
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1328 0.1283
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0088 0.0128
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0062 0.0656 0.2122
Loa Loa (eye worm) hypothetical protein 0.0117 0.1477 0.3477
Loa Loa (eye worm) hypothetical protein 0.0037 0.029 0.0682
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0233 0.0637
Trichomonas vaginalis conserved hypothetical protein 0.0107 0.1328 0.4478
Mycobacterium ulcerans oxidoreductase 0.0214 0.2902 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0119 0.1496 0.5068
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0233 0.0637
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Trypanosoma cruzi hexose transporter 0.0033 0.0233 0.0772
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0088 0.0128
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0037 0.029 0.0837
Schistosoma mansoni glucose transport protein 0.0107 0.1328 0.3042
Entamoeba histolytica P-glycoprotein-5 0.0119 0.1496 0.5068
Echinococcus granulosus General substrate transporter 0.0092 0.1105 0.1059
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Plasmodium falciparum aldo-keto reductase, putative 0.0062 0.0656 0.4387
Brugia malayi ABC transporter family protein 0.0037 0.029 0.0837
Echinococcus multilocularis 0.0037 0.029 0.0243
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0037 0.029 0.0968
Schistosoma mansoni glucose transport protein 0.0107 0.1328 0.3042
Plasmodium falciparum ABC transporter B family member 3, putative 0.0037 0.029 0.1937
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Plasmodium vivax importin-beta 2, putative 0.0029 0.0163 0.1088
Plasmodium falciparum importin beta, putative 0.0029 0.0163 0.1088
Brugia malayi Sugar transporter family protein 0.0107 0.1328 0.4478
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0668 0.0627
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0107 0.1328 0.1299
Schistosoma mansoni multidrug resistance protein 0.0119 0.1496 0.3443
Mycobacterium leprae Conserved hypothetical protein 0.0152 0.1986 0.6746
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0214 0.2902 1
Schistosoma mansoni pol-related 0.0214 0.2902 0.6794
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0037 0.029 0.0837
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0214 0.2902 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0119 0.1496 0.147
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.1328 0.1299
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.1496 0.5068
Giardia lamblia Multidrug resistance-associated protein 1 0.0037 0.029 0.0837
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0037 0.029 0.0999
Brugia malayi hypothetical protein 0.0037 0.029 0.0837
Giardia lamblia Aldose reductase 0.0214 0.2902 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Brugia malayi RNA binding protein 0.0063 0.0668 0.2163
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0163 0.0391
Giardia lamblia Multidrug resistance-associated protein 1 0.0037 0.029 0.0837
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0083 0.0253
Leishmania major pentamidine resistance protein 1 0.0037 0.029 0.0837
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Echinococcus multilocularis aldo keto reductase 0.0214 0.2902 0.29
Loa Loa (eye worm) oxidoreductase 0.0214 0.2902 0.6833
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0037 0.029 0.5
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0037 0.029 0.0968
Loa Loa (eye worm) ABC transporter 0.0037 0.029 0.0682
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Leishmania major prostaglandin f synthase, putative 0.0214 0.2902 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0119 0.1496 0.1452
Loa Loa (eye worm) hypothetical protein 0.0214 0.2902 0.6833
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0119 0.1496 0.1452
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Brugia malayi multidrug resistance related protein 1 0.0037 0.029 0.0837
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0062 0.0656 0.0608
Giardia lamblia Multidrug resistance-associated protein 1 0.0036 0.0271 0.0769
Echinococcus multilocularis aldo keto reductase 0.0214 0.2902 0.29
Entamoeba histolytica aldose reductase, putative 0.0214 0.2902 1
Schistosoma mansoni multidrug resistance protein 0.0037 0.029 0.0568
Echinococcus granulosus hypothetical protein 0.0214 0.2902 0.2865
Trypanosoma brucei aldo-keto reductase, putative 0.0214 0.2902 1
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0037 0.029 0.0837
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Schistosoma mansoni multidrug resistance protein 0.0037 0.029 0.0568
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.1496 0.5068
Brugia malayi Importin beta-1 subunit 0.0029 0.0163 0.0391
Trichomonas vaginalis ABC transporter, putative 0.0119 0.1496 0.5068
Plasmodium falciparum ABC transporter B family member 5, putative 0.0037 0.029 0.1937
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0037 0.029 0.0682
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0668 0.147
Toxoplasma gondii ABC transporter, putative 0.0037 0.029 0.0837
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0051 0.0121
Plasmodium falciparum multidrug resistance protein 1 0.0119 0.1496 1
Echinococcus granulosus multidrug resistance protein 1 0.0083 0.0966 0.0919
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0037 0.029 0.0718
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0036 0.0271 0.0523
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0214 0.2902 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0051 0.0144
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1328 0.1283
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0088 0.0302
Plasmodium vivax ABC transporter B family member 7, putative 0.0037 0.029 0.1937
Plasmodium vivax multidrug resistance protein 2, putative 0.0037 0.029 0.1937
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.1496 0.5068
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0119 0.1496 0.5068
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0088 0.0128
Entamoeba histolytica hypothetical protein 0.0037 0.029 0.0837
Toxoplasma gondii aldo-keto reductase 0.0062 0.0656 0.2122
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0233 0.0772
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0062 0.0656 0.1545
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0037 0.029 0.0837
Loa Loa (eye worm) sugar transporter 0.0107 0.1328 0.3126
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0119 0.1496 0.5155
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0037 0.029 0.0837
Schistosoma mansoni glucose transport protein 0.0107 0.1328 0.3042
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0119 0.1496 0.147
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0037 0.029 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0037 0.029 0.0837
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0207
Echinococcus multilocularis voltage gated potassium channel subunit 0.0062 0.0656 0.0615
Echinococcus multilocularis multidrug resistance associated protein 1 0.0037 0.029 0.0243
Brugia malayi RNA, U transporter 1 0.0081 0.0941 0.3121
Trichomonas vaginalis aldo/keto reductase, putative 0.0214 0.2902 1
Echinococcus granulosus ATP binding cassette sub family B 0.0037 0.029 0.024
Echinococcus granulosus snurportin 1 0.0305 0.4247 0.4217
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0088 0.0302
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0037 0.029 0.0837
Leishmania major ABC-thiol transporter 0.0037 0.029 0.0837
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0119 0.1496 0.5068
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0107 0.1328 0.1299
Schistosoma mansoni multidrug resistance protein 0.0037 0.029 0.0568
Leishmania major glucose transporter, lmgt1 0.0033 0.0233 0.0637
Trichomonas vaginalis aldo-keto reductase, putative 0.0214 0.2902 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0088 0.0128
Mycobacterium leprae Possible oxidoreductase 0.0062 0.0656 0.202
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0088 0.0302
Leishmania major p-glycoprotein 0.0119 0.1496 0.5068
Onchocerca volvulus 0.0119 0.1496 0.5004
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0119 0.1496 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0037 0.029 0.0968
Trypanosoma brucei glucose transporter 2A 0.0033 0.0233 0.0637
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0107 0.1328 0.1283
Echinococcus multilocularis ATP binding cassette sub family B 0.0117 0.1477 0.145
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Mycobacterium ulcerans hypothetical protein 0.0023 0.0088 0.0302
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Plasmodium falciparum ABC transporter B family member 4, putative 0.0037 0.029 0.1937
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0668 0.1573
Trichomonas vaginalis ABC transporter, putative 0.0119 0.1496 0.5068
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0088 0.0302
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0037 0.029 0.0999
Loa Loa (eye worm) hypothetical protein 0.0023 0.0088 0.0207
Echinococcus multilocularis multidrug resistance protein 1 0.0119 0.1496 0.147
Leishmania major importin beta-1 subunit, putative 0.0023 0.0083 0.0111
Loa Loa (eye worm) multidrug resistance protein 3 0.0119 0.1496 0.3522
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Schistosoma mansoni multidrug resistance protein 0.0119 0.1496 0.3443
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Echinococcus granulosus importin subunit beta 1 0.0029 0.0163 0.0112
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0117 0.1477 0.1433
Entamoeba histolytica P-glycoprotein 6, putative 0.0037 0.029 0.0837
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0163 0.0113
Schistosoma mansoni importin beta-1 0.0029 0.0163 0.0266
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0271 0.0769
Entamoeba histolytica aldose reductase, putative 0.0214 0.2902 1
Entamoeba histolytica P-glyco protein 6, putative 0.0119 0.1496 0.5068
Entamoeba histolytica P-glycoprotein 6, putative 0.0037 0.029 0.0837
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0036 0.0271 0.0769
Schistosoma mansoni multidrug resistance protein 0.0037 0.029 0.0568
Loa Loa (eye worm) hypothetical protein 0.0119 0.1496 0.3522
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0051 0.0343
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0214 0.2902 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0088 0.0128
Echinococcus granulosus voltage gated potassium channel subunit 0.0062 0.0656 0.0608
Trypanosoma brucei glucose transporter 1E 0.0033 0.0233 0.0637
Leishmania major p-glycoprotein e 0.0037 0.029 0.0837
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0036 0.0271 0.0769
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Echinococcus multilocularis snurportin 1 0.0305 0.4247 0.4268
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0062 0.0656 0.2122
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0051 0.0343
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0088 0.0302
Trichomonas vaginalis abcb9, putative 0.0119 0.1496 0.5068
Schistosoma mansoni aldo-keto reductase 0.0214 0.2902 0.6794
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0637
Trypanosoma brucei multidrug resistance protein E 0.0037 0.029 0.0837
Trichomonas vaginalis taga, putative 0.0119 0.1496 0.5068
Schistosoma mansoni multidrug resistance protein 0.0036 0.0271 0.0523
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0214 0.2902 1
Plasmodium falciparum multidrug resistance protein 2 0.0037 0.029 0.1937
Plasmodium falciparum ABC transporter B family member 7, putative 0.0037 0.029 0.1937
Echinococcus multilocularis multidrug resistance protein 1 0.0119 0.1496 0.147
Plasmodium vivax hexose transporter 0.0107 0.1328 0.8876
Entamoeba histolytica P-glycoprotein-2, putative 0.0036 0.0271 0.0769
Echinococcus multilocularis ATP binding cassette sub family B 0.0037 0.029 0.0243
Brugia malayi ABC transporter 0.0036 0.0271 0.0769
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0036 0.0271 0.0769
Entamoeba histolytica ATP-binding cassette protein, putative 0.0037 0.029 0.0837
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0233 0.0637
Trichomonas vaginalis aldo/keto reductase, putative 0.0214 0.2902 1
Brugia malayi ABC transporter family protein 0.0037 0.029 0.0837
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0214 0.2902 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0119 0.1496 0.5068
Loa Loa (eye worm) RNA binding protein 0.0063 0.0668 0.1573
Onchocerca volvulus 0.0062 0.0656 0.202
Trichomonas vaginalis abcb9, putative 0.0119 0.1496 0.5068
Plasmodium falciparum hexose transporter 0.0107 0.1328 0.8876
Trypanosoma cruzi aldo-keto reductase 0.0214 0.2902 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0037 0.029 0.0243
Trypanosoma brucei glucose transporter, putative 0.0033 0.0233 0.0637
Brugia malayi ABC transporter transmembrane region family protein 0.0036 0.0271 0.0769
Trypanosoma brucei prostaglandin f synthase 0.0214 0.2902 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0214 0.2902 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0119 0.1496 0.5068
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0037 0.029 0.0837
Onchocerca volvulus 0.0214 0.2902 1
Brugia malayi multidrug resistance protein 3 0.0119 0.1496 0.5068
Schistosoma mansoni smdr2 0.0119 0.1496 0.3443
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0088 0.0302
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29
Echinococcus multilocularis ATP binding cassette sub family B 0.0037 0.029 0.0243
Schistosoma mansoni smdr1 0.0037 0.029 0.0568
Entamoeba histolytica aldose reductase, putative 0.0214 0.2902 1
Brugia malayi ABC transporter family protein 0.0037 0.029 0.0837
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0037 0.029 0.0837
Echinococcus multilocularis multidrug resistance associated protein 7 0.0037 0.029 0.0243
Entamoeba histolytica alcohol dehydrogenase, putative 0.0062 0.0656 0.2122
Trypanosoma cruzi aldo/keto reductase, putative 0.0214 0.2902 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0119 0.1496 0.147
Leishmania major aldo-keto reductase-like protein 0.0214 0.2902 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0119 0.1496 0.5068
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0083 0.0111
Echinococcus granulosus geminin 0.0181 0.2414 0.2375
Trichomonas vaginalis aldo-keto reductase, putative 0.0062 0.0656 0.2122
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0119 0.1496 0.1452
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0233 0.0637
Entamoeba histolytica alcohol dehydrogenase, putative 0.0062 0.0656 0.2122
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0668 0.147
Onchocerca volvulus 0.0214 0.2902 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0233 0.0637
Plasmodium vivax ABC transporter B family member 4, putative 0.0037 0.029 0.1937
Plasmodium vivax ABC transporter B family member 5, putative 0.0037 0.029 0.1937
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0119 0.1496 0.147
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0037 0.029 0.0837
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0062 0.0656 0.2122
Entamoeba histolytica hypothetical protein 0.0023 0.0083 0.0111
Loa Loa (eye worm) oxidoreductase 0.0214 0.2902 0.6833
Entamoeba histolytica ATP-binding cassette protein, putative 0.0037 0.029 0.0837
Plasmodium vivax ABC transporter B family member 6, putative 0.0037 0.029 0.1937
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0214 0.2902 0.2865
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0119 0.1496 0.147
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0119 0.1496 0.3522
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0037 0.029 0.0837
Echinococcus granulosus aldo keto reductase 0.0214 0.2902 0.2865
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0233 0.0637
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0214 0.2902 0.29

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 74.7 nM Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay ChEMBL. 16913699
EC50 (functional) = 74.7 nM Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay ChEMBL. 16913699
EC50 (functional) > 10 uM Agonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay ChEMBL. 16913699
EC50 (functional) > 10 uM Agonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay ChEMBL. 16913699
Efficacy (functional) = 83 % Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay relative to dopamine ChEMBL. 16913699
Efficacy (functional) = 83 % Activity at human recombinant D4.4 receptor expressed in HEK293 cells by FLIPR assay relative to dopamine ChEMBL. 16913699
IC50 (functional) > 10 uM Antagonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay ChEMBL. 16913699
IC50 (functional) > 10 uM Antagonist activity at human recombinant D2 receptor expressed in HEK293 cells by FLIPR assay ChEMBL. 16913699

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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