Detailed information for compound 1420006

Basic information

Technical information
  • TDR Targets ID: 1420006
  • Name: [(amino-pyridin-4-ylmethylidene)amino] 2-(4-b romophenoxy)propanoate
  • MW: 364.194 | Formula: C15H14BrN3O3
  • H donors: 1 H acceptors: 2 LogP: 3.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Oc1ccc(cc1)Br)C)ONC(=N)c1ccncc1
  • InChi: 1S/C15H14BrN3O3/c1-10(21-13-4-2-12(16)3-5-13)15(20)22-19-14(17)11-6-8-18-9-7-11/h2-10H,1H3,(H2,17,19)
  • InChiKey: MRBCUNISDLNUKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[amino-(4-pyridyl)methylene]amino] 2-(4-bromophenoxy)propanoate
  • 2-(4-bromophenoxy)propanoic acid [[amino-(4-pyridyl)methylene]amino] ester
  • 2-(4-bromophenoxy)propionic acid [[amino-(4-pyridyl)methylene]amino] ester
  • [(amino-pyridin-4-yl-methylidene)amino] 2-(4-bromophenoxy)propanoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum ABC transporter B family member 5, putative 0.0141 0.2347 0.2255
Entamoeba histolytica P-glyco protein 6, putative 0.0443 1 1
Plasmodium falciparum ABC transporter B family member 3, putative 0.0141 0.2347 0.2255
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0443 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0141 0.2347 0.2255
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0141 0.2347 0.2729
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Echinococcus multilocularis ATP binding cassette sub family G 0.0375 0.8284 0.8284
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0141 0.2347 0.2255
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0141 0.2347 0.2255
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0443 1 1
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0141 0.2347 0.5
Trichomonas vaginalis abcb9, putative 0.0443 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0141 0.2347 0.2255
Echinococcus granulosus ATP binding cassette sub family G 0.0375 0.8284 0.8284
Trypanosoma cruzi multidrug resistance protein E, putative 0.0141 0.2347 0.2729
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0414 0.0362
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0141 0.2347 0.2347
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0141 0.2347 0.2729
Entamoeba histolytica ABC transporter, putative 0.0375 0.8284 0.8252
Schistosoma mansoni tar DNA-binding protein 0.026 0.5352 0.5352
Echinococcus granulosus multidrug resistance protein 1 0.031 0.6637 0.6637
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0375 0.8284 0.8263
Echinococcus multilocularis ATP binding cassette sub family G 0.0375 0.8284 0.8284
Loa Loa (eye worm) hypothetical protein 0.0056 0.0183 0.0183
Echinococcus granulosus multidrug resistance protein 1 0.0443 1 1
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0141 0.2347 0.2672
Loa Loa (eye worm) hypothetical protein 0.0155 0.2695 0.2695
Echinococcus multilocularis multidrug resistance associated protein 1 0.0141 0.2347 0.2347
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0443 1 1
Brugia malayi ABC transporter transmembrane region family protein 0.0132 0.2116 0.2116
Schistosoma mansoni tar DNA-binding protein 0.026 0.5352 0.5352
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0141 0.2347 0.2255
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0443 1 1
Echinococcus multilocularis 0.0141 0.2347 0.2347
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Brugia malayi hypothetical protein 0.0054 0.0119 0.0119
Trypanosoma cruzi ABC transporter, putative 0.0375 0.8284 1
Schistosoma mansoni ABC transporter 0.0319 0.6853 0.6853
Brugia malayi ABC transporter family protein 0.0141 0.2347 0.2347
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0141 0.2347 0.2347
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0141 0.2347 1
Entamoeba histolytica P-glycoprotein-2 0.0443 1 1
Brugia malayi ABC transporter 0.0141 0.2347 0.2347
Plasmodium falciparum ABC transporter B family member 6, putative 0.0141 0.2347 0.2255
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0141 0.2347 0.2347
Leishmania major pentamidine resistance protein 1 0.0141 0.2347 0.2255
Brugia malayi ABC transporter transmembrane region family protein 0.0141 0.2347 0.2347
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.026 0.5352 0.5352
Brugia malayi ABC transporter family protein 0.0141 0.2347 0.2347
Trichomonas vaginalis abcb9, putative 0.0443 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0183 0.0183
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0141 0.2347 0.2255
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0443 1 1
Leishmania major ATP-binding cassette protein subfamily G, member 5, putative 0.0065 0.0414 0.0299
Plasmodium falciparum ABC transporter B family member 4, putative 0.0141 0.2347 0.2255
Trypanosoma brucei multidrug resistance protein E 0.0141 0.2347 0.2729
Giardia lamblia Multidrug resistance-associated protein 1 0.0141 0.2347 0.039
Echinococcus multilocularis ATP binding cassette sub family B 0.0434 0.9769 0.9769
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0443 1 1
Trypanosoma brucei ABC transporter, putative 0.0065 0.0414 0.0362
Loa Loa (eye worm) TAR-binding protein 0.026 0.5352 0.5352
Brugia malayi hypothetical protein 0.0141 0.2347 0.2347
Plasmodium vivax ABC transporter B family member 6, putative 0.0141 0.2347 0.2255
Loa Loa (eye worm) hypothetical protein 0.0106 0.1448 0.1448
Trichomonas vaginalis ABC transporter, putative 0.0443 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0141 0.2347 0.2347
Echinococcus granulosus tar DNA binding protein 0.026 0.5352 0.5352
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.2695 0.2695
Schistosoma mansoni smdr2 0.0443 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0141 0.2347 0.2255
Loa Loa (eye worm) MH2 domain-containing protein 0.0255 0.5223 0.5223
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.0065 0.0414 0.0362
Loa Loa (eye worm) hypothetical protein 0.0443 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0141 0.2347 0.2255
Schistosoma mansoni hypothetical protein 0.0106 0.1448 0.1448
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1058 0.1058
Loa Loa (eye worm) multidrug resistance protein 3 0.0443 1 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0141 0.2347 0.2347
Plasmodium falciparum multidrug resistance-associated protein 1 0.0141 0.2347 0.2255
Schistosoma mansoni tar DNA-binding protein 0.026 0.5352 0.5352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1058 0.1058
Loa Loa (eye worm) ABC transporter 0.0141 0.2347 0.2347
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0141 0.2347 0.2347
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0141 0.2347 0.2729
Entamoeba histolytica P-glycoprotein 6, putative 0.0141 0.2347 0.2205
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0443 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0443 1 1
Trypanosoma cruzi ABC transporter, putative 0.0056 0.0183 0.0078
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0443 1 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0141 0.2347 0.2255
Plasmodium vivax multidrug resistance protein 2, putative 0.0141 0.2347 0.2255
Loa Loa (eye worm) hypothetical protein 0.0054 0.0119 0.0119
Plasmodium vivax ABC transporter G family member 2, putative 0.0375 0.8284 0.8263
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.1448 0.1448
Entamoeba histolytica ATP-binding cassette protein, putative 0.0141 0.2347 0.2205
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0141 0.2347 0.2672
Echinococcus granulosus multidrug resistance protein 1 0.031 0.6637 0.6637
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0141 0.2347 0.2205
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0443 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0141 0.2347 0.2255
Entamoeba histolytica P-glycoprotein-2, putative 0.0443 1 1
Schistosoma mansoni multidrug resistance protein 0.0141 0.2347 0.2347
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0443 1 1
Brugia malayi MH2 domain containing protein 0.0255 0.5223 0.5223
Trypanosoma cruzi ABC transporter, putative 0.0065 0.0414 0.0362
Leishmania major p-glycoprotein e 0.0141 0.2347 0.2255
Schistosoma mansoni ABC transporter 0.0056 0.0183 0.0183
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0141 0.2347 0.2255
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0443 1 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0443 1 1
Echinococcus granulosus ATP binding cassette sub family G 0.0375 0.8284 0.8284
Plasmodium falciparum ABC transporter B family member 7, putative 0.0141 0.2347 0.2255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1058 0.1058
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0375 0.8284 0.8263
Plasmodium vivax ABC transporter B family member 7, putative 0.0141 0.2347 0.2255
Trypanosoma brucei ATP-binding cassette protein, putative 0.0375 0.8284 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.2116 0.2116
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0443 1 1
Plasmodium vivax ABC transporter B family member 5, putative 0.0141 0.2347 0.2255
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0375 0.8284 0.8263
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.0065 0.0414 0.0362
Plasmodium falciparum multidrug resistance protein 1 0.0443 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0443 1 1
Leishmania major ATP-binding cassette protein subfamily G, member 1, putative 0.0065 0.0414 0.0299
Loa Loa (eye worm) ABC transporter 0.0319 0.6853 0.6853
Toxoplasma gondii ATP-binding cassette G family transporter ABCG107 0.0065 0.0414 0.0299
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0141 0.2347 0.2672
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0443 1 1
Toxoplasma gondii ATP-binding cassette G family transporter ABCG89 0.0065 0.0414 0.0299
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0141 0.2347 0.2729
Brugia malayi multidrug resistance related protein 1 0.0141 0.2347 0.2347
Entamoeba histolytica P-glycoprotein-5 0.0443 1 1
Brugia malayi P-glycoprotein-like protein 0.0141 0.2347 0.2347
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0375 0.8284 1
Giardia lamblia ABC transporter, putative 0.0141 0.2347 0.039
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.031 0.6622 0.6559
Trypanosoma brucei ABC transporter, putative 0.0375 0.8284 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0141 0.2347 0.0293
Toxoplasma gondii ATP-binding cassette G family transporter ABCG96 0.0065 0.0414 0.0299
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0141 0.2347 0.2729
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0443 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.2347 0.2347
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1058 0.1058
Echinococcus granulosus multidrug resistance associated protein 1 0.0141 0.2347 0.2347
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0443 1 1
Brugia malayi ABC transporter family protein 0.0319 0.6853 0.6853
Entamoeba histolytica multidrug resistance protein, putative 0.0141 0.2347 0.2205
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0443 1 1
Schistosoma mansoni smdr1 0.0141 0.2347 0.2347
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1058 0.1058
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0375 0.8284 1
Leishmania major ABC-thiol transporter 0.0141 0.2347 0.2255
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0443 1 1
Schistosoma mansoni tar DNA-binding protein 0.026 0.5352 0.5352
Schistosoma mansoni multidrug resistance protein 0.0132 0.2116 0.2116
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0141 0.2347 0.2729
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0141 0.2347 0.2255
Trichomonas vaginalis ABC transporter, putative 0.0443 1 1
Toxoplasma gondii ATP-binding cassette G family transporter ABCG87 0.0065 0.0414 0.0299
Brugia malayi hypothetical protein 0.0056 0.0183 0.0183
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0414 0.0362
Brugia malayi ABC transporter transmembrane region family protein 0.0141 0.2347 0.2347
Trypanosoma brucei ATP-binding cassette protein subfamily G 0.0065 0.0414 0.0362
Echinococcus granulosus multidrug resistance protein 1 0.0443 1 1
Loa Loa (eye worm) ABC transporter 0.0141 0.2347 0.2347
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0141 0.2347 0.2672
Toxoplasma gondii ABC transporter, putative 0.0141 0.2347 0.2255
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0141 0.2347 0.2255
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0141 0.2347 0.5
Trichomonas vaginalis ABC transporter, putative 0.0443 1 1
Trichomonas vaginalis taga, putative 0.0443 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0443 1 1
Schistosoma mansoni multidrug resistance protein 0.0443 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0141 0.2347 0.2347
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0443 1 1
Echinococcus multilocularis tar DNA binding protein 0.026 0.5352 0.5352
Schistosoma mansoni multidrug resistance protein 0.0443 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1058 0.1058
Entamoeba histolytica P-glycoprotein 6, putative 0.0141 0.2347 0.2205
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0443 1 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0141 0.2347 0.2729
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0443 1 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0375 0.8284 1
Loa Loa (eye worm) hypothetical protein 0.0434 0.9769 0.9769
Loa Loa (eye worm) hypothetical protein 0.0132 0.2116 0.2116
Echinococcus multilocularis multidrug resistance protein 1 0.031 0.6637 0.6637
Entamoeba histolytica ATP-binding cassette protein, putative 0.0141 0.2347 0.2205
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1058 0.1058
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0141 0.2347 0.2672
Leishmania major p-glycoprotein 0.0443 1 1
Schistosoma mansoni multidrug resistance protein 0.0141 0.2347 0.2347
Echinococcus granulosus ATP binding cassette sub family B 0.0132 0.2116 0.2116
Loa Loa (eye worm) ABC transporter 0.0141 0.2347 0.2347
Brugia malayi RNA binding protein 0.026 0.5352 0.5352
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0141 0.2347 0.2255
Trypanosoma cruzi ABC transporter, putative 0.0056 0.0183 0.0078
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0443 1 1
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0141 0.2347 0.2205
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0141 0.2347 1
Schistosoma mansoni multidrug resistance protein 0.0141 0.2347 0.2347
Echinococcus multilocularis ATP binding cassette sub family B 0.0141 0.2347 0.2347
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0443 1 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0132 0.2116 0.1969
Loa Loa (eye worm) transcription factor SMAD2 0.0255 0.5223 0.5223
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0132 0.2116 0.2116
Entamoeba histolytica P-glycoprotein 5, putative 0.0443 1 1
Brugia malayi TAR-binding protein 0.026 0.5352 0.5352
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0443 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0141 0.2347 0.2255
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0443 1 1
Plasmodium vivax ABC transporter B family member 4, putative 0.0141 0.2347 0.2255
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0375 0.8284 0.8284
Loa Loa (eye worm) hypothetical protein 0.0443 1 1
Brugia malayi ABC transporter 0.0132 0.2116 0.2116
Echinococcus multilocularis ATP binding cassette sub family G 0.0375 0.8284 0.8284
Toxoplasma gondii ABC transporter family protein 0.0141 0.2347 0.2255
Giardia lamblia Multidrug resistance-associated protein 1 0.0141 0.2347 0.039
Plasmodium falciparum multidrug resistance protein 2 0.0141 0.2347 0.2255
Schistosoma mansoni multidrug resistance protein 0.0443 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0443 1 1
Schistosoma mansoni multidrug resistance protein 0.0141 0.2347 0.2347
Entamoeba histolytica hypothetical protein 0.0141 0.2347 0.2205
Loa Loa (eye worm) hypothetical protein 0.0056 0.0183 0.0183
Leishmania major ATP-binding cassette protein subfamily G, member 2, putative 0.0065 0.0414 0.0299
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0141 0.2347 0.2255
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0443 1 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0132 0.2116 0.1969
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0434 0.9769 0.9769
Trichomonas vaginalis ABC transporter, putative 0.0443 1 1
Schistosoma mansoni tar DNA-binding protein 0.026 0.5352 0.5352
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.2695 0.2695
Brugia malayi ABC transporter family protein 0.0443 1 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0141 0.2347 0.2347
Entamoeba histolytica P-glycoprotein-1 0.0443 1 1
Trypanosoma brucei p-glycoprotein 0.0141 0.2347 0.2729
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0183 0.0078
Brugia malayi RE11181p 0.0056 0.0183 0.0183
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0443 1 1
Trichomonas vaginalis abcb9, putative 0.0443 1 1
Entamoeba histolytica P-glycoprotein-2 0.0443 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0443 1 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0141 0.2347 0.2347
Echinococcus granulosus ATP binding cassette sub family G 0.0375 0.8284 0.8284
Schistosoma mansoni hypothetical protein 0.031 0.6622 0.6622
Echinococcus granulosus ATP binding cassette sub family B 0.0141 0.2347 0.2347
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1058 0.1058
Plasmodium falciparum multidrug resistance-associated protein 2 0.0141 0.2347 0.2255
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0141 0.2347 0.2729
Giardia lamblia MRP-like ABC transporter 0.0141 0.2347 0.039
Loa Loa (eye worm) hypothetical protein 0.0141 0.2347 0.2347
Entamoeba histolytica ATP-binding cassette protein, putative 0.0141 0.2347 0.2205
Onchocerca volvulus 0.0443 1 0.5
Giardia lamblia ABC transporter 0.0366 0.8052 1
Schistosoma mansoni multidrug resistance protein 0.0141 0.2347 0.2347
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1058 0.1058
Brugia malayi RNA recognition motif domain containing protein 0.026 0.5352 0.5352
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0375 0.8284 1
Loa Loa (eye worm) RNA binding protein 0.026 0.5352 0.5352
Plasmodium vivax ABC transporter B family member 3, putative 0.0141 0.2347 0.2255
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.2695 0.2695
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.031 0.6637 0.5735
Entamoeba histolytica ABC transporter, putative 0.0141 0.2347 0.2205
Loa Loa (eye worm) hypothetical protein 0.0141 0.2347 0.2347
Brugia malayi ABC transporter family protein 0.0141 0.2347 0.2347
Echinococcus granulosus multidrug resistance protein 1 0.0443 1 1
Echinococcus multilocularis multidrug resistance protein 1 0.0443 1 1
Plasmodium falciparum ABC transporter G family member 2 0.0375 0.8284 0.8263
Entamoeba histolytica ATP-binding cassette protein, putative 0.0141 0.2347 0.2205

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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.

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

No literature references available for this target.

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