Detailed information for compound 1422444

Basic information

Technical information
  • TDR Targets ID: 1422444
  • Name: 2-diethylamino-N-(thiophen-2-ylmethyl)pyridin e-3-carboxamide
  • MW: 289.396 | Formula: C15H19N3OS
  • H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ncccc1C(=O)NCc1cccs1)CC
  • InChi: 1S/C15H19N3OS/c1-3-18(4-2)14-13(8-5-9-16-14)15(19)17-11-12-7-6-10-20-12/h5-10H,3-4,11H2,1-2H3,(H,17,19)
  • InChiKey: GXAGRJWHJOVFBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-diethylamino-N-(2-thienylmethyl)pyridine-3-carboxamide
  • 2-diethylamino-N-(2-thienylmethyl)-3-pyridinecarboxamide
  • 2-diethylamino-N-(2-thienylmethyl)nicotinamide
  • 2-Diethylamino-N-thiophen-2-ylmethyl-nicotinamide
  • MLS000029776
  • SMR000003790
  • ASN 04892477

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Trichomonas vaginalis ABC transporter, putative 0.0401 0.5295 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0401 0.5295 0.5295
Loa Loa (eye worm) hypothetical protein 0.0255 0.3126 0.3126
Plasmodium vivax ABC transporter B family member 3, putative 0.0127 0.1241 0.2343
Plasmodium falciparum multidrug resistance protein 1 0.0401 0.5295 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0127 0.1241 0.1241
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0401 0.5295 1
Brugia malayi ABC transporter transmembrane region family protein 0.0127 0.1241 0.1241
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0223 0.2651 1
Plasmodium vivax ABC transporter G family member 2, putative 0.0223 0.2651 0.5006
Schistosoma mansoni smdr2 0.0401 0.5295 0.5295
Trichomonas vaginalis ABC transporter, putative 0.0401 0.5295 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0127 0.1241 0.2343
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0127 0.1241 0.2343
Schistosoma mansoni hypothetical protein 0.0174 0.1934 0.1934
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0127 0.1241 1
Echinococcus multilocularis ATP binding cassette sub family G 0.0223 0.2651 0.2651
Echinococcus granulosus GPCR family 2 0.0081 0.0549 0.0549
Echinococcus granulosus multidrug resistance protein 1 0.0401 0.5295 0.5295
Entamoeba histolytica ABC transporter, putative 0.0127 0.1241 0.0246
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0127 0.1241 0.2343
Giardia lamblia Multidrug resistance-associated protein 1 0.0127 0.1241 0.0724
Schistosoma mansoni tar DNA-binding protein 0.0719 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0401 0.5295 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0081 0.0549 0.0549
Plasmodium falciparum ataxin-2 like protein, putative 0.0128 0.1243 0.0007
Loa Loa (eye worm) hypothetical protein 0.0174 0.1934 0.1934
Trypanosoma cruzi PAB1-binding protein , putative 0.0128 0.1243 0.4691
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0127 0.1241 0.468
Echinococcus granulosus ATP binding cassette sub family G 0.0223 0.2651 0.2651
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0401 0.5295 0.5295
Schistosoma mansoni ABC transporter 0.0189 0.216 0.216
Plasmodium vivax ABC transporter B family member 5, putative 0.0127 0.1241 0.2343
Loa Loa (eye worm) ABC transporter 0.0127 0.1241 0.1241
Toxoplasma gondii LsmAD domain-containing protein 0.0128 0.1243 0.2348
Schistosoma mansoni hypothetical protein 0.0057 0.0203 0.0203
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0401 0.5295 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1474 0.1474
Trypanosoma brucei PAB1-binding protein , putative 0.0128 0.1243 0.4691
Loa Loa (eye worm) ABC transporter 0.0189 0.216 0.216
Echinococcus multilocularis multidrug resistance protein 1 0.0401 0.5295 0.5295
Entamoeba histolytica ATP-binding cassette protein, putative 0.0127 0.1241 0.0246
Echinococcus multilocularis ATP binding cassette sub family B 0.0127 0.1241 0.1241
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0127 0.1241 0.468
Entamoeba histolytica P-glycoprotein-2, putative 0.0401 0.5295 1
Loa Loa (eye worm) RNA binding protein 0.0719 1 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0127 0.1241 0.2343
Loa Loa (eye worm) hypothetical protein 0.0081 0.0549 0.0549
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0394 0.5193 0.5193
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0255 0.3126 0.3126
Brugia malayi P-glycoprotein-like protein 0.0127 0.1241 0.1241
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0223 0.2651 0.2651
Loa Loa (eye worm) hypothetical protein 0.0394 0.5193 0.5193
Echinococcus granulosus ATP binding cassette sub family G 0.0223 0.2651 0.2651
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0401 0.5295 0.5
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0127 0.1241 0.5
Giardia lamblia ABC transporter, putative 0.0127 0.1241 0.0724
Loa Loa (eye worm) ABC transporter 0.0127 0.1241 0.1241
Loa Loa (eye worm) ABC transporter 0.0127 0.1241 0.1241
Echinococcus granulosus ATP binding cassette sub family G 0.0223 0.2651 0.2651
Trypanosoma cruzi multidrug resistance protein E, putative 0.0127 0.1241 0.468
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0127 0.1241 0.468
Brugia malayi hypothetical protein 0.0128 0.1243 0.1243
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0127 0.1241 0.2343
Echinococcus multilocularis ATP binding cassette sub family G 0.0223 0.2651 0.2651
Brugia malayi RNA recognition motif domain containing protein 0.0719 1 1
Schistosoma mansoni tar DNA-binding protein 0.0719 1 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0401 0.5295 0.5295
Brugia malayi Pax transcription factor protein 2 0.024 0.2909 0.2909
Echinococcus granulosus multidrug resistance protein 1 0.0401 0.5295 0.5295
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0401 0.5295 0.5295
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1474 0.1474
Trypanosoma cruzi PAB1-binding protein , putative 0.0128 0.1243 0.4691
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0401 0.5295 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0127 0.1241 0.2343
Entamoeba histolytica multidrug resistance protein, putative 0.0127 0.1241 0.0246
Schistosoma mansoni hypothetical protein 0.0081 0.0549 0.0549
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1474 0.1474
Trichomonas vaginalis conserved hypothetical protein 0.012 0.1138 0.215
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0127 0.1241 0.1241
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0401 0.5295 0.5295
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0081 0.0549 0.0549
Schistosoma mansoni tar DNA-binding protein 0.0719 1 1
Trichomonas vaginalis taga, putative 0.0401 0.5295 1
Echinococcus granulosus ATP binding cassette sub family B 0.0127 0.1241 0.1241
Echinococcus multilocularis tar DNA binding protein 0.0719 1 1
Giardia lamblia ABC transporter 0.0216 0.2548 1
Plasmodium vivax ABC transporter B family member 7, putative 0.0127 0.1241 0.2343
Schistosoma mansoni hypothetical protein 0.0183 0.2058 0.2058
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0081 0.0549 0.0549
Echinococcus multilocularis multidrug resistance protein 1 0.0281 0.3513 0.3513
Onchocerca volvulus 0.024 0.2909 0.5493
Entamoeba histolytica ABC transporter, putative 0.0223 0.2651 0.3638
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0401 0.5295 1
Brugia malayi ABC transporter family protein 0.0401 0.5295 0.5295
Schistosoma mansoni multidrug resistance protein 0.0127 0.1241 0.1241
Onchocerca volvulus 0.0401 0.5295 1
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0127 0.1241 0.2343
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0401 0.5295 1
Entamoeba histolytica P-glycoprotein 6, putative 0.0127 0.1241 0.0246
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0127 0.1241 0.2343
Leishmania major pentamidine resistance protein 1 0.0127 0.1241 0.2343
Echinococcus granulosus multidrug resistance associated protein 7 0.0127 0.1241 0.1241
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0127 0.1241 0.2343
Echinococcus multilocularis 0.0127 0.1241 0.1241
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0127 0.1241 0.5
Toxoplasma gondii ABC transporter family protein 0.0127 0.1241 0.2343
Leishmania major ABC-thiol transporter 0.0127 0.1241 0.2343
Brugia malayi ABC transporter family protein 0.0189 0.216 0.216
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0127 0.1241 0.1241
Entamoeba histolytica P-glycoprotein-2 0.0401 0.5295 1
Echinococcus granulosus tar DNA binding protein 0.0719 1 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0401 0.5295 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0081 0.0549 0.0549
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0127 0.1241 0.2343
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0127 0.1241 0.2343
Loa Loa (eye worm) hypothetical protein 0.0128 0.1243 0.1243
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0127 0.1241 1
Schistosoma mansoni tar DNA-binding protein 0.0719 1 1
Schistosoma mansoni multidrug resistance protein 0.012 0.1138 0.1138
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Schistosoma mansoni multidrug resistance protein 0.0401 0.5295 0.5295
Schistosoma mansoni multidrug resistance protein 0.0127 0.1241 0.1241
Trypanosoma brucei ATP-binding cassette protein, putative 0.0223 0.2651 1
Leishmania major p-glycoprotein e 0.0127 0.1241 0.2343
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0081 0.0549 0.0549
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0127 0.1241 0.2343
Loa Loa (eye worm) hypothetical protein 0.0151 0.1587 0.1587
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0401 0.5295 1
Entamoeba histolytica P-glycoprotein-5 0.0401 0.5295 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0401 0.5295 0.5295
Echinococcus multilocularis ATP binding cassette sub family G 0.0223 0.2651 0.2651
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0127 0.1241 0.2343
Entamoeba histolytica hypothetical protein 0.0127 0.1241 0.0246
Loa Loa (eye worm) hypothetical protein 0.012 0.1138 0.1138
Echinococcus granulosus multidrug resistance protein 1 0.0401 0.5295 0.5295
Brugia malayi hypothetical protein 0.0151 0.1587 0.1587
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0223 0.2651 0.5006
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Brugia malayi multidrug resistance protein 3 0.0401 0.5295 0.5295
Schistosoma mansoni multidrug resistance protein 0.0127 0.1241 0.1241
Brugia malayi MH2 domain containing protein 0.0487 0.6566 0.6566
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0401 0.5295 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0401 0.5295 0.5295
Brugia malayi hypothetical protein 0.0082 0.0575 0.0575
Trypanosoma brucei p-glycoprotein 0.0127 0.1241 0.468
Toxoplasma gondii ABC transporter, putative 0.0127 0.1241 0.2343
Onchocerca volvulus 0.0151 0.1587 0.2997
Brugia malayi ABC transporter 0.0127 0.1241 0.1241
Echinococcus multilocularis GPCR, family 2 0.0081 0.0549 0.0549
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.012 0.1138 0.215
Leishmania major hypothetical protein, conserved 0.0128 0.1243 0.2348
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0127 0.1241 0.1241
Brugia malayi ABC transporter family protein 0.0127 0.1241 0.1241
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0127 0.1241 0.468
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0401 0.5295 1
Echinococcus granulosus ATP binding cassette sub family B 0.0127 0.1241 0.1241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1474 0.1474
Plasmodium falciparum ABC transporter G family member 2 0.0223 0.2651 0.3478
Entamoeba histolytica P-glyco protein 6, putative 0.0401 0.5295 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0128 0.1243 0.0007
Schistosoma mansoni multidrug resistance protein 0.0401 0.5295 0.5295
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0281 0.3513 0.6635
Plasmodium vivax ABC transporter B family member 4, putative 0.0127 0.1241 0.2343
Brugia malayi Calcitonin receptor-like protein seb-1 0.0255 0.3126 0.3126
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0401 0.5295 0.5295
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.012 0.1138 0.215
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0127 0.1241 0.468
Echinococcus multilocularis ATP binding cassette sub family B 0.0127 0.1241 0.1241
Entamoeba histolytica ATP-binding cassette protein, putative 0.0127 0.1241 0.0246
Giardia lamblia Multidrug resistance-associated protein 1 0.0127 0.1241 0.0724
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0127 0.1241 0.468
Brugia malayi ABC transporter family protein 0.0127 0.1241 0.1241
Echinococcus multilocularis ATP binding cassette sub family B 0.0394 0.5193 0.5193
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0401 0.5295 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0127 0.1241 0.2343
Echinococcus granulosus multidrug resistance protein 1 0.0281 0.3513 0.3513
Trichomonas vaginalis abcb9, putative 0.0401 0.5295 1
Loa Loa (eye worm) TAR-binding protein 0.0719 1 1
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0127 0.1241 0.2343
Entamoeba histolytica P-glycoprotein 6, putative 0.0127 0.1241 0.0246
Entamoeba histolytica ATP-binding cassette protein, putative 0.0127 0.1241 0.0246
Trichomonas vaginalis ABC transporter, putative 0.0401 0.5295 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0719 1 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0401 0.5295 0.5295
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0223 0.2651 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0127 0.1241 0.2343
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.1474 0.1474
Schistosoma mansoni multidrug resistance protein 0.0127 0.1241 0.1241
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0401 0.5295 0.5295
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.0183 0.2058 0.3886
Schistosoma mansoni hypothetical protein 0.0081 0.0549 0.0549
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0127 0.1241 0.468
Echinococcus granulosus ATP binding cassette sub family B 0.012 0.1138 0.1138
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0223 0.2651 0.5006
Plasmodium vivax ABC transporter B family member 6, putative 0.0127 0.1241 0.2343
Loa Loa (eye worm) hypothetical protein 0.0127 0.1241 0.1241
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0127 0.1241 0.468
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1474 0.1474
Trypanosoma brucei multidrug resistance protein E 0.0127 0.1241 0.468
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.012 0.1138 0.1138
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Schistosoma mansoni smdr1 0.0127 0.1241 0.1241
Loa Loa (eye worm) hypothetical protein 0.0127 0.1241 0.1241
Loa Loa (eye worm) MH2 domain-containing protein 0.0487 0.6566 0.6566
Trypanosoma brucei ABC transporter, putative 0.0223 0.2651 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.012 0.1138 0.215
Schistosoma mansoni multidrug resistance protein 0.0127 0.1241 0.1241
Giardia lamblia MRP-like ABC transporter 0.0127 0.1241 0.0724
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Loa Loa (eye worm) pax transcription factor protein 2 0.024 0.2909 0.2909
Brugia malayi ABC transporter family protein 0.0127 0.1241 0.1241
Loa Loa (eye worm) hypothetical protein 0.0401 0.5295 0.5295
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0127 0.1241 0.2343
Plasmodium vivax multidrug resistance protein 2, putative 0.0127 0.1241 0.2343
Brugia malayi ABC transporter transmembrane region family protein 0.0127 0.1241 0.1241
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0057 0.0203 0.0203
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0401 0.5295 1
Echinococcus multilocularis multidrug resistance associated protein 1 0.0127 0.1241 0.1241
Entamoeba histolytica P-glycoprotein-2 0.0401 0.5295 1
Loa Loa (eye worm) multidrug resistance protein 3 0.0401 0.5295 0.5295
Brugia malayi latrophilin 2 splice variant baaae 0.0174 0.1934 0.1934
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0401 0.5295 1
Trichomonas vaginalis abcb9, putative 0.0401 0.5295 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0401 0.5295 1
Loa Loa (eye worm) hypothetical protein 0.0401 0.5295 0.5295
Plasmodium vivax multidrug resistance protein 1, putative 0.0401 0.5295 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0081 0.0549 0.0549
Trypanosoma cruzi ABC transporter, putative 0.0223 0.2651 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0127 0.1241 0.468
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0057 0.0203 0.0203
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.1474 0.1474
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.3466 0.6546
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1474 0.1474
Entamoeba histolytica P-glycoprotein-1 0.0401 0.5295 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0401 0.5295 1
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0223 0.2651 0.5006
Schistosoma mansoni tar DNA-binding protein 0.0719 1 1
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0401 0.5295 1
Schistosoma mansoni hypothetical protein 0.0081 0.0549 0.0549
Loa Loa (eye worm) transcription factor SMAD2 0.0487 0.6566 0.6566
Leishmania major p-glycoprotein 0.0401 0.5295 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0127 0.1241 0.0246
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0223 0.2651 1
Schistosoma mansoni multidrug resistance protein 0.0401 0.5295 0.5295
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0127 0.1241 0.468
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0127 0.1241 0.2343
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0127 0.1241 0.468
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0223 0.2651 1
Echinococcus multilocularis multidrug resistance protein 1 0.0401 0.5295 0.5295
Echinococcus multilocularis ATP binding cassette sub family B 0.0127 0.1241 0.1241
Schistosoma mansoni hypothetical protein 0.0081 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.012 0.1138 0.1138
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0401 0.5295 1
Brugia malayi Latrophilin receptor protein 2 0.0081 0.0549 0.0549
Brugia malayi ABC transporter transmembrane region family protein 0.012 0.1138 0.1138
Loa Loa (eye worm) hypothetical protein 0.0127 0.1241 0.1241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1474 0.1474
Brugia malayi ABC transporter 0.012 0.1138 0.1138
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0127 0.1241 0.468
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0127 0.1241 0.1241
Trichomonas vaginalis ABC transporter, putative 0.0401 0.5295 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0255 0.3126 0.3126
Brugia malayi multidrug resistance related protein 1 0.0127 0.1241 0.1241
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0401 0.5295 1
Brugia malayi hypothetical protein 0.0127 0.1241 0.1241
Plasmodium vivax ataxin-2 like protein, putative 0.0128 0.1243 0.2348
Echinococcus granulosus multidrug resistance protein 1 0.0281 0.3513 0.3513
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0401 0.5295 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0127 0.1241 0.1241
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0127 0.1241 0.2343
Trichomonas vaginalis abcb9, putative 0.0401 0.5295 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0401 0.5295 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0127 0.1241 0.468
Brugia malayi TAR-binding protein 0.0719 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2239 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: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.