Detailed information for compound 1304141

Basic information

Technical information
  • TDR Targets ID: 1304141
  • Name: 2-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-6,7- dimethoxy-3,4-dihydro-1H-isoquinoline-3-carbo xylic acid
  • MW: 388.39 | Formula: C20H21FN2O5
  • H donors: 2 H acceptors: 3 LogP: 0.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2CN(CC(=O)Nc3ccc(cc3)F)C(Cc2cc1OC)C(=O)O
  • InChi: 1S/C20H21FN2O5/c1-27-17-8-12-7-16(20(25)26)23(10-13(12)9-18(17)28-2)11-19(24)22-15-5-3-14(21)4-6-15/h3-6,8-9,16H,7,10-11H2,1-2H3,(H,22,24)(H,25,26)
  • InChiKey: JCSCXLOIALSBFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
  • 2-[2-[(4-fluorophenyl)amino]-2-keto-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
  • A3990/0169990

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) hypothetical protein 0.0181 0.1763 0.1283
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0181 0.1763 0.2317
Echinococcus granulosus ATP binding cassette sub family B 0.017 0.1609 0.1119
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2827 0.2409
Echinococcus granulosus ATP binding cassette sub family B 0.0181 0.1763 0.1283
Loa Loa (eye worm) hypothetical protein 0.0155 0.1376 0.0873
Loa Loa (eye worm) hypothetical protein 0.0134 0.1064 0.0543
Echinococcus granulosus tar DNA binding protein 0.0727 1 1
Leishmania major ABC-thiol transporter 0.0181 0.1763 0.2317
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0317 0.3818 0.3458
Schistosoma mansoni multidrug resistance protein 0.0569 0.7612 0.7473
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0569 0.7612 1
Echinococcus granulosus multidrug resistance protein 1 0.0398 0.5042 0.4753
Onchocerca volvulus 0.0286 0.3351 0.3167
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0569 0.7612 1
Schistosoma mansoni multidrug resistance protein 0.0569 0.7612 0.7473
Entamoeba histolytica P-glycoprotein-2, putative 0.0569 0.7612 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0181 0.1763 0.1468
Loa Loa (eye worm) hypothetical protein 0.017 0.1609 0.1119
Echinococcus granulosus multidrug resistance protein 1 0.0569 0.7612 0.7473
Trypanosoma cruzi multidrug resistance protein E, putative 0.0181 0.1763 0.3972
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0181 0.1763 0.2317
Plasmodium falciparum multidrug resistance protein 1 0.0569 0.7612 1
Trypanosoma brucei ATP-binding cassette protein, putative 0.0358 0.444 1
Toxoplasma gondii ABC transporter family protein 0.0181 0.1763 0.2317
Echinococcus multilocularis multidrug resistance protein 1 0.0398 0.5042 0.4753
Schistosoma mansoni tar DNA-binding protein 0.0727 1 1
Echinococcus granulosus ATP binding cassette sub family B 0.0181 0.1763 0.1283
Plasmodium vivax multidrug resistance protein 1, putative 0.0569 0.7612 1
Trichomonas vaginalis abcb9, putative 0.0569 0.7612 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0569 0.7612 0.7473
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0181 0.1763 0.3972
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Echinococcus granulosus multidrug resistance protein 1 0.0569 0.7612 0.7473
Brugia malayi ABC transporter transmembrane region family protein 0.0181 0.1763 0.1468
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0181 0.1763 0.0258
Leishmania major p-glycoprotein e 0.0181 0.1763 0.2317
Loa Loa (eye worm) RNA binding protein 0.0727 1 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0569 0.7612 1
Plasmodium vivax multidrug resistance protein 2, putative 0.0181 0.1763 0.1069
Entamoeba histolytica ABC transporter, putative 0.0181 0.1763 0.0258
Entamoeba histolytica P-glycoprotein-2 0.0569 0.7612 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0358 0.444 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0181 0.1763 0.1283
Echinococcus multilocularis multidrug resistance protein 1 0.0569 0.7612 0.7473
Brugia malayi ABC transporter 0.0181 0.1763 0.1468
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0358 0.444 1
Brugia malayi ABC transporter family protein 0.0181 0.1763 0.1468
Trypanosoma cruzi PAB1-binding protein , putative 0.0134 0.1064 0.2396
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0358 0.444 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0569 0.7612 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0569 0.7612 0.7473
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.01 0.0551 0.0212
Plasmodium vivax ABC transporter B family member 7, putative 0.0181 0.1763 0.1069
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0569 0.7612 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0398 0.5042 0.5719
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0288 0.3376 0.3139
Entamoeba histolytica P-glycoprotein 6, putative 0.0181 0.1763 0.0258
Brugia malayi ABC transporter family protein 0.0569 0.7612 0.7527
Schistosoma mansoni multidrug resistance protein 0.0181 0.1763 0.1283
Schistosoma mansoni hypothetical protein 0.0217 0.2306 0.1858
Giardia lamblia ABC transporter 0.0348 0.4285 1
Brugia malayi hypothetical protein 0.0134 0.1064 0.0744
Entamoeba histolytica P-glycoprotein-5 0.0569 0.7612 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0569 0.7612 0.7473
Entamoeba histolytica P-glycoprotein 6, putative 0.0181 0.1763 0.0258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0288 0.3376 0.299
Echinococcus multilocularis tar DNA binding protein 0.0727 1 1
Leishmania major hypothetical protein, conserved 0.0134 0.1064 0.1397
Loa Loa (eye worm) glutaminase 2 0.033 0.4015 0.3666
Plasmodium vivax ABC transporter B family member 3, putative 0.0181 0.1763 0.1069
Loa Loa (eye worm) hypothetical protein 0.0569 0.7612 0.7473
Schistosoma mansoni hypothetical protein 0.0294 0.3478 0.3098
Plasmodium falciparum multidrug resistance protein 2 0.0181 0.1763 0.1069
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0181 0.1763 0.2317
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0181 0.1763 0.2317
Loa Loa (eye worm) pax transcription factor protein 2 0.0247 0.2762 0.234
Plasmodium falciparum multidrug resistance-associated protein 2 0.0181 0.1763 0.1069
Entamoeba histolytica ATP-binding cassette protein, putative 0.0181 0.1763 0.0258
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0181 0.1763 0.1283
Brugia malayi MH2 domain containing protein 0.0494 0.6485 0.6359
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0569 0.7612 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0569 0.7612 0.7473
Echinococcus multilocularis 0.0181 0.1763 0.1283
Brugia malayi ABC transporter family protein 0.0181 0.1763 0.1468
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0181 0.1763 0.2317
Echinococcus multilocularis ATP binding cassette sub family G 0.0358 0.444 0.4116
Entamoeba histolytica multidrug resistance protein, putative 0.0181 0.1763 0.0258
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0181 0.1763 0.1283
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0181 0.1763 0.5
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Brugia malayi P-glycoprotein-like protein 0.0181 0.1763 0.1468
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0181 0.1763 0.2317
Loa Loa (eye worm) ABC transporter 0.0181 0.1763 0.1283
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0569 0.7612 1
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0358 0.444 0.5832
Brugia malayi Pax transcription factor protein 2 0.0247 0.2762 0.2503
Loa Loa (eye worm) hypothetical protein 0.0558 0.7458 0.7309
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Plasmodium falciparum ABC transporter B family member 4, putative 0.0181 0.1763 0.1069
Plasmodium vivax ABC transporter B family member 6, putative 0.0181 0.1763 0.1069
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0569 0.7612 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0569 0.7612 0.7473
Plasmodium falciparum multidrug resistance-associated protein 1 0.0181 0.1763 0.1069
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0288 0.3376 0.299
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0569 0.7612 0.7473
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0181 0.1763 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0569 0.7612 0.7473
Brugia malayi ABC transporter transmembrane region family protein 0.017 0.1609 0.1308
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0569 0.7612 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Echinococcus granulosus ATP binding cassette sub family G 0.0358 0.444 0.4116
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0569 0.7612 0.7473
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0569 0.7612 1
Giardia lamblia MRP-like ABC transporter 0.0181 0.1763 0.0579
Loa Loa (eye worm) hypothetical protein 0.0317 0.3818 0.3458
Mycobacterium ulcerans glutaminase 0.033 0.4015 0.8414
Trichomonas vaginalis ABC transporter, putative 0.0569 0.7612 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0569 0.7612 1
Brugia malayi hypothetical protein 0.0155 0.1376 0.1067
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0181 0.1763 0.1069
Plasmodium vivax ABC transporter B family member 4, putative 0.0181 0.1763 0.1069
Entamoeba histolytica ATP-binding cassette protein, putative 0.0181 0.1763 0.0258
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0181 0.1763 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0288 0.3376 0.299
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0569 0.7612 0.7473
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0181 0.1763 0.2317
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Trichomonas vaginalis abcb9, putative 0.0569 0.7612 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0494 0.6485 0.628
Echinococcus granulosus multidrug resistance associated protein 7 0.0181 0.1763 0.1283
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0181 0.1763 0.1069
Schistosoma mansoni multidrug resistance protein 0.0181 0.1763 0.1283
Schistosoma mansoni multidrug resistance protein 0.0181 0.1763 0.1283
Echinococcus granulosus ATP binding cassette sub family G 0.0358 0.444 0.4116
Giardia lamblia Multidrug resistance-associated protein 1 0.0181 0.1763 0.0579
Plasmodium vivax ABC transporter B family member 5, putative 0.0181 0.1763 0.1069
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0569 0.7612 1
Brugia malayi ABC transporter family protein 0.0181 0.1763 0.1468
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0358 0.444 0.5832
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0288 0.3376 0.299
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0358 0.444 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0181 0.1763 0.1283
Loa Loa (eye worm) hypothetical protein 0.0217 0.2306 0.1858
Toxoplasma gondii LsmAD domain-containing protein 0.0134 0.1064 0.1397
Schistosoma mansoni glutaminase 0.033 0.4015 0.3666
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0181 0.1763 0.3972
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0569 0.7612 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3351 0.2902
Trichomonas vaginalis ABC transporter, putative 0.0569 0.7612 1
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0358 0.444 0.5832
Brugia malayi ABC transporter 0.017 0.1609 0.1308
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0569 0.7612 1
Schistosoma mansoni multidrug resistance protein 0.017 0.1609 0.1119
Leishmania major p-glycoprotein 0.0569 0.7612 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0569 0.7612 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0288 0.3376 0.299
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0317 0.3818 0.3597
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0569 0.7612 1
Brugia malayi ABC transporter transmembrane region family protein 0.0181 0.1763 0.1468
Loa Loa (eye worm) hypothetical protein 0.0569 0.7612 0.7473
Schistosoma mansoni ABC transporter 0.0305 0.3633 0.3262
Trichomonas vaginalis abcb9, putative 0.0569 0.7612 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0181 0.1763 0.0258
Loa Loa (eye worm) ABC transporter 0.0181 0.1763 0.1283
Trypanosoma brucei multidrug resistance protein E 0.0181 0.1763 0.3972
Brugia malayi multidrug resistance related protein 1 0.0181 0.1763 0.1468
Echinococcus granulosus multidrug resistance protein 1 0.0569 0.7612 0.7473
Loa Loa (eye worm) ABC transporter 0.0181 0.1763 0.1283
Brugia malayi RNA recognition motif domain containing protein 0.0727 1 1
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0181 0.1763 0.3972
Echinococcus multilocularis ATP binding cassette sub family B 0.0181 0.1763 0.1283
Echinococcus multilocularis multidrug resistance protein 1 0.0569 0.7612 0.7473
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0569 0.7612 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0569 0.7612 1
Brugia malayi latrophilin 2 splice variant baaae 0.0217 0.2306 0.203
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0569 0.7612 1
Plasmodium falciparum ABC transporter B family member 3, putative 0.0181 0.1763 0.1069
Schistosoma mansoni tar DNA-binding protein 0.0727 1 1
Plasmodium falciparum ABC transporter B family member 7, putative 0.0181 0.1763 0.1069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0288 0.3376 0.299
Trichomonas vaginalis ABC transporter, putative 0.0569 0.7612 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0569 0.7612 1
Brugia malayi ABC transporter family protein 0.0305 0.3633 0.3405
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0358 0.444 0.4116
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0558 0.7458 0.7309
Brugia malayi Calcitonin receptor-like protein seb-1 0.0317 0.3818 0.3597
Trichomonas vaginalis ABC transporter, putative 0.0569 0.7612 1
Entamoeba histolytica P-glycoprotein-2 0.0569 0.7612 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0181 0.1763 0.2317
Trypanosoma cruzi PAB1-binding protein , putative 0.0134 0.1064 0.2396
Trypanosoma brucei p-glycoprotein 0.0181 0.1763 0.3972
Brugia malayi Pre-SET motif family protein 0.0251 0.2827 0.257
Trichomonas vaginalis glutaminase, putative 0.033 0.4015 0.4008
Schistosoma mansoni tar DNA-binding protein 0.0727 1 1
Echinococcus granulosus ATP binding cassette sub family G 0.0358 0.444 0.4116
Plasmodium falciparum ABC transporter B family member 5, putative 0.0181 0.1763 0.1069
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.0294 0.3478 0.2931
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0181 0.1763 0.3972
Echinococcus multilocularis ATP binding cassette sub family G 0.0358 0.444 0.4116
Echinococcus multilocularis ATP binding cassette sub family G 0.0358 0.444 0.4116
Trichomonas vaginalis taga, putative 0.0569 0.7612 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0288 0.3376 0.299
Entamoeba histolytica P-glycoprotein-1 0.0569 0.7612 1
Loa Loa (eye worm) transcription factor SMAD2 0.0494 0.6485 0.628
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0569 0.7612 1
Schistosoma mansoni tar DNA-binding protein 0.0727 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0134 0.1064 0.2396
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0569 0.7612 0.7473
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0181 0.1763 0.2317
Brugia malayi TAR-binding protein 0.0727 1 1
Schistosoma mansoni multidrug resistance protein 0.0181 0.1763 0.1283
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0181 0.1763 0.2317
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0181 0.1763 0.2317
Echinococcus multilocularis ATP binding cassette sub family B 0.0181 0.1763 0.1283
Plasmodium vivax ABC transporter G family member 2, putative 0.0358 0.444 0.5155
Giardia lamblia Multidrug resistance-associated protein 1 0.0181 0.1763 0.0579
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0288 0.3376 0.299
Schistosoma mansoni multidrug resistance protein 0.0181 0.1763 0.1283
Onchocerca volvulus 0.0247 0.2762 0.2222
Giardia lamblia ABC transporter, putative 0.0181 0.1763 0.0579
Schistosoma mansoni multidrug resistance protein 0.0569 0.7612 0.7473
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0181 0.1763 0.3972
Schistosoma mansoni tar DNA-binding protein 0.0727 1 1
Trypanosoma brucei ABC transporter, putative 0.0358 0.444 1
Echinococcus granulosus multidrug resistance protein 1 0.0398 0.5042 0.4753
Loa Loa (eye worm) glutaminase 0.033 0.4015 0.3666
Plasmodium falciparum ABC transporter G family member 2 0.0358 0.444 0.5155
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0181 0.1763 0.2317
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0181 0.1763 0.3972
Onchocerca volvulus 0.0569 0.7612 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0181 0.1763 0.1283
Brugia malayi multidrug resistance protein 3 0.0569 0.7612 0.7527
Plasmodium falciparum ABC transporter B family member 6, putative 0.0181 0.1763 0.1069
Leishmania major pentamidine resistance protein 1 0.0181 0.1763 0.2317
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0569 0.7612 0.7473
Schistosoma mansoni smdr1 0.0181 0.1763 0.1283
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.017 0.1609 0.1119
Echinococcus granulosus multidrug resistance associated protein 1 0.0181 0.1763 0.1283
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0727 1 1
Loa Loa (eye worm) ABC transporter 0.0305 0.3633 0.3262
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0181 0.1763 0.3972
Echinococcus multilocularis ATP binding cassette sub family B 0.0181 0.1763 0.1283
Trypanosoma cruzi ABC transporter, putative 0.0358 0.444 1
Entamoeba histolytica P-glyco protein 6, putative 0.0569 0.7612 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0181 0.1763 0.0258
Echinococcus multilocularis ATP binding cassette sub family B 0.0558 0.7458 0.7309
Entamoeba histolytica hypothetical protein 0.0181 0.1763 0.0258
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0181 0.1763 0.2317
Brugia malayi glutaminase DH11.1 0.033 0.4015 0.3801
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0181 0.1763 0.5
Loa Loa (eye worm) TAR-binding protein 0.0727 1 1
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0181 0.1763 0.3972
Loa Loa (eye worm) hypothetical protein 0.017 0.1609 0.1119
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0181 0.1763 0.2317
Schistosoma mansoni smdr2 0.0569 0.7612 0.7473
Entamoeba histolytica ABC transporter, putative 0.0358 0.444 0.4715
Loa Loa (eye worm) hypothetical protein 0.0181 0.1763 0.1283
Toxoplasma gondii ABC transporter, putative 0.0181 0.1763 0.2317
Brugia malayi Latrophilin receptor protein 2 0.01 0.0551 0.0212
Brugia malayi hypothetical protein 0.0181 0.1763 0.1468
Loa Loa (eye worm) hypothetical protein 0.0181 0.1763 0.1283

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.