Detailed information for compound 1294390

Basic information

Technical information
  • TDR Targets ID: 1294390
  • Name: 4-[2,4-diamino-6-(4-chlorophenyl)-6H-1,3,5-tr iazin-1-yl]benzenesulfonamide
  • MW: 378.837 | Formula: C15H15ClN6O2S
  • H donors: 3 H acceptors: 2 LogP: 0.66 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C1N=C(N)N=C(N1c1ccc(cc1)S(=O)(=O)N)N
  • InChi: 1S/C15H15ClN6O2S/c16-10-3-1-9(2-4-10)13-20-14(17)21-15(18)22(13)11-5-7-12(8-6-11)25(19,23)24/h1-8,13H,(H2,19,23,24)(H4,17,18,20,21)
  • InChiKey: PQCVHDDRCNRMGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2,4-diamino-6-(4-chlorophenyl)-6H-s-triazin-1-yl]benzenesulfonamide
  • 4-(2-(4-chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)benzenesulfonamide
  • NCI60_000406
  • NSC117268
  • MLS000737484
  • SMR000528534

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0099 0.3128 0.4975
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0072 0.2162 0.3439
Trichomonas vaginalis abcb9, putative 0.0186 0.6288 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0384 0.061
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.1512 0.239
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0061 0.1748 0.2781
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0072 0.2162 0.3
Brugia malayi multidrug resistance protein 3 0.0186 0.6288 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0059 0.1672 0.2303
Brugia malayi multidrug resistance related protein 1 0.0072 0.2162 0.3439
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0082 0.2526 0.4018
Entamoeba histolytica P-glycoprotein-1 0.0186 0.6288 1
Onchocerca volvulus 0.0048 0.1274 0.1509
Onchocerca volvulus 0.0186 0.6288 1
Trypanosoma cruzi cdc2-related kinase 1 0.0099 0.3128 1
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0059 0.1672 0.1672
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0547 0.0547
Schistosoma mansoni multidrug resistance protein 0.0072 0.2162 0.2162
Plasmodium falciparum multidrug resistance-associated protein 1 0.0061 0.1748 0.2781
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0061 0.1748 0.1748
Echinococcus granulosus hyperpolarization activated cyclic 0.002 0.0291 0.046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.13 0.2055
Trypanosoma cruzi cdc2-related kinase 3 0.0099 0.3128 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0099 0.3128 0.4975
Echinococcus granulosus sodium channel protein 0.0084 0.2574 0.4068
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0186 0.6288 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.13 0.2055
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0061 0.1748 0.5
Loa Loa (eye worm) multidrug resistance protein 3 0.0186 0.6288 1
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0061 0.1748 0.2781
Brugia malayi Protein kinase domain containing protein 0.0099 0.3128 0.4975
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.6326 1
Plasmodium vivax multidrug resistance protein 2, putative 0.0061 0.1748 0.2575
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.002 0.0291 0.0291
Plasmodium vivax ABC transporter B family member 7, putative 0.0061 0.1748 0.2575
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0186 0.6288 1
Echinococcus granulosus ATP binding cassette sub family B 0.0061 0.1748 0.2764
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0384 0.1329
Trypanosoma brucei multidrug resistance protein E 0.0072 0.2162 0.3
Echinococcus multilocularis cyclin dependent kinase 1 0.0099 0.3128 0.4945
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0384 0.1329
Brugia malayi mbt repeat family protein 0.0048 0.1274 0.2027
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0082 0.2526 0.3993
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.2204 0.2204
Toxoplasma gondii ABC transporter family protein 0.0061 0.1748 0.2781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.13 0.2067
Loa Loa (eye worm) hypothetical protein 0.0023 0.0384 0.061
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0186 0.6288 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0384 0.061
Giardia lamblia Multidrug resistance-associated protein 1 0.007 0.2086 0.2843
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.2204 0.3484
Brugia malayi ABC transporter transmembrane region family protein 0.0061 0.1748 0.2781
Loa Loa (eye worm) hypothetical protein 0.0061 0.1748 0.2781
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0184 0.6211 0.9818
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0186 0.6288 1
Brugia malayi ABC transporter 0.0061 0.1748 0.2781
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0186 0.6288 0.9939
Trichomonas vaginalis ABC transporter, putative 0.0186 0.6288 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0072 0.2162 0.3013
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0061 0.1748 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0184 0.6211 0.9818
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0061 0.1748 0.5
Entamoeba histolytica ABC transporter, putative 0.0072 0.2162 0.3013
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0186 0.6288 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0059 0.1672 0.2303
Loa Loa (eye worm) hypothetical protein 0.0072 0.2158 0.3432
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.2159 0.3116
Echinococcus multilocularis cyclin dependent kinase 5 0.0099 0.3128 0.4945
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0099 0.3128 0.4945
Echinococcus granulosus cyclin dependent kinase 1 0.0099 0.3128 0.4945
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0384 0.061
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.1274 0.2015
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.2782 0.2782
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.13 0.2067
Echinococcus granulosus geminin 0.0165 0.5511 0.8711
Schistosoma mansoni multidrug resistance protein 0.0186 0.6288 0.6288
Loa Loa (eye worm) hypothetical protein 0.0054 0.1512 0.2405
Echinococcus multilocularis geminin 0.0165 0.5511 0.8711
Echinococcus multilocularis voltage gated potassium channel 0.0027 0.0547 0.0865
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0186 0.6288 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.002 0.0291 0.046
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.3128 0.4731
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0084 0.2574 0.4068
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0186 0.6288 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.3053 0.4855
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0186 0.6288 1
Plasmodium vivax ABC transporter B family member 3, putative 0.0061 0.1748 0.2575
Trypanosoma cruzi cdc2-related kinase 3 0.0099 0.3128 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0061 0.1748 0.2764
Echinococcus multilocularis hyperpolarization activated cyclic 0.002 0.0291 0.046
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0177 0.5939 0.9446
Loa Loa (eye worm) hypothetical protein 0.0017 0.0175 0.0278
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.1274 0.2027
Giardia lamblia Kinase, CMGC CDK 0.0099 0.3128 1
Schistosoma mansoni multidrug resistance protein 0.0072 0.2162 0.2162
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0072 0.2162 0.3439
Echinococcus granulosus multidrug resistance protein 1 0.0186 0.6288 0.9939
Schistosoma mansoni multidrug resistance protein 0.0072 0.2162 0.2162
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0084 0.2574 0.4093
Trichomonas vaginalis abcb9, putative 0.0186 0.6288 1
Echinococcus granulosus hyperpolarization activated cyclic 0.002 0.0291 0.046
Loa Loa (eye worm) hypothetical protein 0.007 0.2086 0.3318
Leishmania major pentamidine resistance protein 1 0.0072 0.2162 0.3439
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.1274 0.2015
Entamoeba histolytica hypothetical protein 0.0072 0.2162 0.3013
Leishmania major p-glycoprotein e 0.0072 0.2162 0.3439
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0186 0.6288 1
Echinococcus multilocularis 0.0061 0.1748 0.2764
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0384 0.061
Echinococcus multilocularis multidrug resistance protein 1 0.0128 0.4172 0.6595
Plasmodium vivax ABC transporter B family member 6, putative 0.0061 0.1748 0.2575
Schistosoma mansoni hypothetical protein 0.0165 0.5511 0.5511
Entamoeba histolytica P-glycoprotein-2, putative 0.0059 0.1672 0.2182
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0059 0.1672 0.2303
Giardia lamblia Kinase, CMGC CDK 0.0099 0.3128 1
Entamoeba histolytica P-glycoprotein-2 0.0186 0.6288 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0186 0.6288 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.1672 0.2303
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.002 0.0291 0.0291
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0186 0.6288 1
Plasmodium vivax protein kinase Crk2 0.0099 0.3128 0.4832
Brugia malayi mbt repeat family protein 0.0048 0.1274 0.2027
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0186 0.6288 0.9939
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0384 0.1329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.13 0.13
Giardia lamblia MRP-like ABC transporter 0.0072 0.2162 0.3367
Echinococcus granulosus ATP binding cassette sub family B 0.0059 0.1672 0.2643
Entamoeba histolytica P-glyco protein 6, putative 0.0186 0.6288 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.002 0.0291 0.046
Schistosoma mansoni multidrug resistance protein 0.0072 0.2162 0.2162
Trypanosoma cruzi multidrug resistance protein E, putative 0.0072 0.2162 0.3
Entamoeba histolytica hypothetical protein 0.0073 0.2204 0.3083
Loa Loa (eye worm) hypothetical protein 0.0177 0.5939 0.9446
Echinococcus multilocularis multidrug resistance associated protein 1 0.0072 0.2162 0.3418
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4764 0.7577
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0099 0.3128 0.4975
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.002 0.0291 0.0291
Plasmodium vivax ABC transporter B family member 4, putative 0.0061 0.1748 0.2575
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0061 0.1748 1
Entamoeba histolytica hypothetical protein 0.0073 0.2204 0.3083
Trichomonas vaginalis ABC transporter, putative 0.0186 0.6288 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0061 0.1748 0.2781
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0027 0.0547 0.0865
Echinococcus granulosus cyclin dependent kinase 0.0099 0.3128 0.4945
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0061 0.1748 1
Trichomonas vaginalis ABC transporter, putative 0.0186 0.6288 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0291 0.0463
Loa Loa (eye worm) ABC transporter 0.0061 0.1748 0.2781
Loa Loa (eye worm) hypothetical protein 0.0072 0.2162 0.3439
Plasmodium falciparum multidrug resistance protein 1 0.0186 0.6288 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1274 0.1274
Giardia lamblia ABC transporter, putative 0.0072 0.2162 0.3367
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.1512 0.239
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0186 0.6288 0.9939
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0186 0.6288 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0061 0.1748 0.2764
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0072 0.2162 0.3439
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1274 0.1274
Echinococcus granulosus multidrug resistance protein 1 0.0128 0.4172 0.6595
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0072 0.2162 0.3439
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0061 0.1748 0.2575
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0186 0.6288 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0072 0.2162 0.3418
Trypanosoma brucei cdc2-related kinase 1 0.0099 0.3128 1
Entamoeba histolytica hypothetical protein 0.0073 0.2204 0.3083
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0186 0.6288 0.9939
Plasmodium falciparum ABC transporter B family member 5, putative 0.0061 0.1748 0.2781
Loa Loa (eye worm) multidrug resistance-associated protein 0.0014 0.0047 0.0075
Entamoeba histolytica P-glycoprotein-2, putative 0.0186 0.6288 1
Trypanosoma cruzi cdc2-related kinase 1 0.0099 0.3128 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.002 0.0291 0.0291
Brugia malayi ABC transporter transmembrane region family protein 0.0059 0.1672 0.2659
Loa Loa (eye worm) ABC transporter 0.0061 0.1748 0.2781
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.002 0.0291 0.0463
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0072 0.2162 0.3
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0175 0.0276
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.1512 0.239
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0186 0.6288 1
Trichomonas vaginalis abcb9, putative 0.0186 0.6288 1
Plasmodium falciparum multidrug resistance-associated protein 2 0.0061 0.1748 0.2781
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0072 0.2162 0.3439
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0186 0.6288 0.9939
Loa Loa (eye worm) hypothetical protein 0.0184 0.6211 0.9878
Schistosoma mansoni hypothetical protein 0.0165 0.5511 0.5511
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0061 0.1748 0.2781
Echinococcus granulosus cyclic nucleotide gated cation channel 0.002 0.0291 0.046
Entamoeba histolytica ATP-binding cassette protein, putative 0.0072 0.2162 0.3013
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0027 0.0547 0.0865
Schistosoma mansoni voltage-gated potassium channel 0.0017 0.0179 0.0179
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.002 0.0291 0.046
Echinococcus multilocularis hyperpolarization activated cyclic 0.002 0.0291 0.046
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0128 0.4172 0.6472
Entamoeba histolytica P-glycoprotein-2 0.0186 0.6288 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0384 0.061
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0061 0.1748 0.2575
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0099 0.3128 0.4975
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.13 0.13
Entamoeba histolytica P-glycoprotein 6, putative 0.0061 0.1748 0.2311
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0082 0.2526 0.3993
Entamoeba histolytica hypothetical protein 0.0073 0.2204 0.3083
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0061 0.1748 0.278
Trichomonas vaginalis taga, putative 0.0186 0.6288 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0384 0.1329
Schistosoma mansoni smdr1 0.0061 0.1748 0.1748
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0141 0.0223
Brugia malayi ABC transporter family protein 0.0061 0.1748 0.2781
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0072 0.2159 0.3116
Plasmodium falciparum protein kinase 5 0.0099 0.3128 0.4975
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0384 0.1329
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.1512 0.239
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0384 0.1329
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0061 0.1748 1
Echinococcus multilocularis multidrug resistance protein 1 0.0186 0.6288 0.9939
Trypanosoma brucei p-glycoprotein 0.0072 0.2162 0.3
Entamoeba histolytica ATP-binding cassette protein, putative 0.0072 0.2162 0.3013
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0099 0.3128 0.4975
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0384 0.1329
Loa Loa (eye worm) hypothetical protein 0.0017 0.0175 0.0278
Plasmodium falciparum ABC transporter B family member 3, putative 0.0061 0.1748 0.2781
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0061 0.1748 0.2764
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0186 0.6288 0.9939
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.3128 0.4731
Echinococcus granulosus cyclic nucleotide gated cation channel 0.002 0.0291 0.046
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.3128 0.3128
Loa Loa (eye worm) hypothetical protein 0.0017 0.0175 0.0278
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0072 0.2162 0.3
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0384 0.0609
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4764 0.7577
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0141 0.0223
Toxoplasma gondii ABC transporter, putative 0.0061 0.1748 0.2781
Echinococcus granulosus multidrug resistance protein 1 0.0186 0.6288 0.9939
Plasmodium falciparum multidrug resistance protein 2 0.0061 0.1748 0.2781
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0186 0.6288 1
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0061 0.1748 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.002 0.0291 0.046
Plasmodium vivax ABC transporter B family member 5, putative 0.0061 0.1748 0.2575
Echinococcus multilocularis cyclin dependent kinase 0.0099 0.3128 0.4945
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0141 0.0223
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0061 0.1748 0.2781
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0141 0.0223
Brugia malayi P-glycoprotein-like protein 0.0061 0.1748 0.2781
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.002 0.0291 0.0291
Brugia malayi ABC transporter 0.0059 0.1672 0.2659
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0072 0.2162 0.3439
Schistosoma mansoni multidrug resistance protein 0.0059 0.1672 0.1672
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.1512 0.2405
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.1672 0.2659
Loa Loa (eye worm) hypothetical protein 0.0072 0.2162 0.3439
Echinococcus multilocularis sodium channel protein 0.0084 0.2574 0.4068
Schistosoma mansoni multidrug resistance protein 0.0186 0.6288 0.6288
Echinococcus multilocularis multidrug resistance associated protein 7 0.0072 0.2162 0.3418
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0061 0.1748 0.243
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0186 0.6288 1
Trichomonas vaginalis ABC transporter, putative 0.0186 0.6288 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0061 0.1748 0.2781
Schistosoma mansoni 60S ribosomal protein L21 0.0017 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0027 0.0547 0.087
Plasmodium falciparum ABC transporter B family member 6, putative 0.0061 0.1748 0.2781
Schistosoma mansoni smdr2 0.0186 0.6288 0.6288
Entamoeba histolytica cell division protein kinase 2, putative 0.0099 0.3128 0.4649
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0027 0.0547 0.087
Schistosoma mansoni multidrug resistance protein 0.0061 0.1748 0.1748
Entamoeba histolytica multidrug resistance protein, putative 0.0072 0.2162 0.3013
Schistosoma mansoni multidrug resistance protein 0.0186 0.6288 0.6288
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0186 0.6288 0.9939
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.13 0.13
Leishmania major ABC-thiol transporter 0.0072 0.2162 0.3439
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.13 0.2055
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.1512 0.1512
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.1274 0.2015
Entamoeba histolytica P-glycoprotein 5, putative 0.0186 0.6288 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0186 0.6288 1
Toxoplasma gondii hypothetical protein 0.0177 0.5939 0.9446
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.3128 0.3128
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0186 0.6288 0.9939
Entamoeba histolytica P-glycoprotein-5 0.0186 0.6288 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0061 0.1748 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0061 0.1748 0.2781
Echinococcus multilocularis ATP binding cassette sub family B 0.0061 0.1748 0.2764
Echinococcus granulosus multidrug resistance associated protein 1 0.0072 0.2162 0.3418
Mycobacterium ulcerans hypothetical protein 0.0023 0.0384 0.1329
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.1274 0.1509
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0061 0.1748 0.2781
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.1274 0.2015
Schistosoma mansoni hypothetical protein 0.0073 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.0186 0.6288 1
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0175 0.0278
Entamoeba histolytica cell division protein kinase 2, putative 0.0099 0.3128 0.4649
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.002 0.0291 0.046
Giardia lamblia Multidrug resistance-associated protein 1 0.0072 0.2162 0.3367
Entamoeba histolytica ATP-binding cassette protein, putative 0.0072 0.2162 0.3013
Brugia malayi hypothetical protein 0.0061 0.1748 0.2781
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0384 0.061
Brugia malayi cell division control protein 2 homolog 0.0099 0.3128 0.4975
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0061 0.1748 0.2781
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.1274 0.1274
Brugia malayi MH2 domain containing protein 0.0144 0.4764 0.7577
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0099 0.3128 0.4975
Echinococcus multilocularis cyclin dependent kinase 1 0.0099 0.3128 0.4945
Plasmodium falciparum ABC transporter B family member 4, putative 0.0061 0.1748 0.2781
Brugia malayi hypothetical protein 0.0073 0.2204 0.3505
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0061 0.1748 0.278
Trypanosoma brucei cdc2-related kinase 3 0.0099 0.3128 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0384 0.061
Echinococcus multilocularis multidrug resistance protein 1 0.0186 0.6288 0.9939
Brugia malayi ABC transporter transmembrane region family protein 0.0072 0.2162 0.3439
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0186 0.6288 1
Schistosoma mansoni voltage-gated potassium channel 0.0089 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.0177 0.5939 0.9446
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.13 0.2055
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.6326 1
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0061 0.1748 0.2781
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0186 0.6288 1
Echinococcus granulosus multidrug resistance protein 1 0.0128 0.4172 0.6595
Brugia malayi ABC transporter family protein 0.0061 0.1748 0.2781
Entamoeba histolytica P-glycoprotein 6, putative 0.0061 0.1748 0.2311
Loa Loa (eye worm) hypothetical protein 0.0186 0.6288 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0384 0.061
Loa Loa (eye worm) hypothetical protein 0.0177 0.5939 0.9446
Loa Loa (eye worm) hypothetical protein 0.0017 0.0175 0.0278
Leishmania major p-glycoprotein 0.0186 0.6288 1
Echinococcus granulosus multidrug resistance protein 1 0.0186 0.6288 0.9939
Brugia malayi ABC transporter family protein 0.0061 0.1748 0.2781
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.2204 0.3484
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0072 0.2162 0.3
Brugia malayi Cyclic-nucleotide gated cation channel 0.002 0.0291 0.0463
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0061 0.1748 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0059 0.1672 0.2182
Giardia lamblia Multidrug resistance-associated protein 1 0.0072 0.2162 0.3367
Loa Loa (eye worm) MBCTL1 0.0054 0.1512 0.2405
Plasmodium falciparum ABC transporter B family member 7, putative 0.0061 0.1748 0.2781
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0384 0.0609
Schistosoma mansoni voltage-gated potassium channel 0.002 0.0291 0.0291
Echinococcus granulosus ATP binding cassette sub family B 0.0061 0.1748 0.2764
Loa Loa (eye worm) hypothetical protein 0.0017 0.0175 0.0278
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0186 0.6288 1
Plasmodium vivax multidrug resistance protein 1, putative 0.0186 0.6288 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.002 0.0291 0.0463
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0186 0.6288 0.9939
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0547 0.0547
Echinococcus granulosus voltage gated potassium channel 0.0027 0.0547 0.0865
Trichomonas vaginalis CMGC family protein kinase 0.0099 0.3128 0.4731
Loa Loa (eye worm) hypothetical protein 0.0048 0.1274 0.2027
Brugia malayi ABC transporter family protein 0.0186 0.6288 1
Echinococcus granulosus cyclin dependent kinase 5 0.0099 0.3128 0.4945
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0082 0.2526 0.4018
Loa Loa (eye worm) ABC transporter 0.0061 0.1748 0.2781
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0186 0.6288 1

Activities

Activity type Activity value Assay description Source Reference
Delta Tm (binding) = 7.57 degrees C Binding affinity to Escherichia coli DHFR assessed as change in melting temperature at 500 uM using spyro orange reporter dye by differential scanning fluorimetry ChEMBL. 26414808
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 1548 uM Inhibition of Escherichia coli DHFR assessed as NADP formation ChEMBL. 26414808
Kd (binding) = 48.01 uM Binding affinity to Escherichia coli DHFR at 500 uM using spyro orange reporter dye by differential scanning fluorimetry ChEMBL. 26414808
Ki (binding) = 105 uM Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis ChEMBL. 26414808
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 9.285 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 Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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
Saccharomyces cerevisiae 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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