Detailed information for compound 761662

Basic information

Technical information
  • TDR Targets ID: 761662
  • Name: N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2- yl]-4-methoxybenzenesulfonamide
  • MW: 341.449 | Formula: C14H19N3O3S2
  • H donors: 1 H acceptors: 4 LogP: 3.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)CC(C)(C)C
  • InChi: 1S/C14H19N3O3S2/c1-14(2,3)9-12-15-16-13(21-12)17-22(18,19)11-7-5-10(20-4)6-8-11/h5-8H,9H2,1-4H3,(H,16,17)
  • InChiKey: FNHCXWXCBVTFMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-benzenesulfonamide
  • 4-methoxy-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
  • SMR000275020
  • BAS 05276910
  • N-[5-(2,2-Dimethyl-propyl)-[1,3,4]thiadiazol-2-yl]-4-methoxy-benzenesulfonamide
  • ST5277357
  • ZINC00199398
  • AJ-292/41694225
  • MLS000715041

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei unspecified product 0.0273 0.2157 0.1983
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1053 0.9634 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0219 0.1638 0.6923
Loa Loa (eye worm) hypothetical protein 0.0178 0.1244 0.1291
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Schistosoma mansoni smdr1 0.0071 0.0217 0.0217
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0416 0.3522 0.3379
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0416 0.3522 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Echinococcus multilocularis geminin 0.0205 0.1499 0.131
Toxoplasma gondii carbamoylphosphate synthetase 0.0094 0.0438 0.0226
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0082 0.0327 0.0189
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0219 0.1638 0.6923
Entamoeba histolytica P-glycoprotein-2 0.0219 0.1638 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0071 0.0217 0.0114
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0416 0.3522 1
Brugia malayi hypothetical protein 0.0071 0.0217 0.0025
Echinococcus multilocularis sodium channel protein 0.0084 0.0344 0.013
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0219 0.1638 0.1452
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0148 0.0955 0.1273
Brugia malayi ABC transporter transmembrane region family protein 0.0071 0.0217 0.0025
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0219 0.1638 0.1452
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0219 0.1638 0.6923
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0083 0.0331 0.0146
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0416 0.3522 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Echinococcus granulosus ATP binding cassette sub family B 0.0071 0.0217 0.0024
Loa Loa (eye worm) hypothetical protein 0.0217 0.1614 0.1675
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0416 0.3522 0.5701
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0148 0.0955 0.0754
Mycobacterium ulcerans pyruvate carboxylase 0.0416 0.3522 1
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0094 0.0438 0.0668
Loa Loa (eye worm) hypothetical protein 0.0082 0.0327 0.0339
Echinococcus multilocularis multidrug resistance protein 1 0.0151 0.0981 0.0781
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0219 0.1638 0.1452
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0148 0.0955 0.1273
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0219 0.1638 0.6923
Loa Loa (eye worm) hypothetical protein 0.0231 0.1752 0.1818
Plasmodium falciparum multidrug resistance protein 1 0.0219 0.1638 0.2061
Entamoeba histolytica multidrug resistance protein, putative 0.0082 0.0327 0.0924
Trichomonas vaginalis abcb9, putative 0.0219 0.1638 0.6923
Echinococcus granulosus multidrug resistance associated protein 1 0.0082 0.0327 0.0136
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0082 0.0327 0.0112
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0082 0.0327 0.0112
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1752 0.1569
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0094 0.0438 0.032
Onchocerca volvulus 0.0286 0.2279 1
Schistosoma mansoni hypothetical protein 0.0205 0.1499 0.1499
Brugia malayi ABC transporter 0.0071 0.0217 0.0025
Schistosoma mansoni multidrug resistance protein 0.0068 0.0193 0.0193
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0148 0.0955 0.2232
Brugia malayi ABC transporter transmembrane region family protein 0.0082 0.0327 0.0141
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.024 0.007
Loa Loa (eye worm) hypothetical protein 0.008 0.0303 0.0314
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1091 1 1
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0094 0.0438 0.0668
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0219 0.1638 0.6923
Loa Loa (eye worm) hypothetical protein 0.0071 0.0217 0.0225
Brugia malayi P-glycoprotein-like protein 0.0071 0.0217 0.0025
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0148 0.0955 0.2232
Entamoeba histolytica ATP-binding cassette protein, putative 0.0082 0.0327 0.0924
Giardia lamblia Multidrug resistance-associated protein 1 0.008 0.0303 0.0973
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Schistosoma mansoni multidrug resistance protein 0.0219 0.1638 0.1638
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0148 0.0955 0.1273
Loa Loa (eye worm) ABC transporter 0.0071 0.0217 0.0225
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.6001 0.6001
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0148 0.0955 0.0777
Echinococcus granulosus multidrug resistance protein 1 0.0219 0.1638 0.1473
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0219 0.1638 0.1452
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0186 0.1321 1
Toxoplasma gondii pyruvate carboxylase 0.0416 0.3522 0.3379
Leishmania major p-glycoprotein 0.0219 0.1638 0.1452
Trichomonas vaginalis taga, putative 0.0219 0.1638 0.6923
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0219 0.1638 0.1452
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1946 0.2021
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.024 0.0023
Schistosoma mansoni hypothetical protein 0.0205 0.1499 0.1499
Echinococcus granulosus multidrug resistance protein 1 0.0151 0.0981 0.0804
Trichomonas vaginalis ABC transporter, putative 0.0219 0.1638 0.6923
Trichomonas vaginalis abcb9, putative 0.0219 0.1638 0.6923
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0083 0.0331 0.0117
Echinococcus granulosus multidrug resistance protein 1 0.0219 0.1638 0.1473
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0219 0.1638 0.6923
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0416 0.3522 0.3379
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0082 0.0327 0.0112
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0148 0.0955 0.2232
Entamoeba histolytica P-glycoprotein-2 0.0219 0.1638 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0219 0.1638 0.1473
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.024 0.007
Plasmodium falciparum carbamoyl phosphate synthetase 0.0094 0.0438 0.032
Echinococcus granulosus multidrug resistance protein 1 0.0151 0.0981 0.0804
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Trypanosoma cruzi acetyl-CoA carboxylase 0.0676 0.6014 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0148 0.0955 0.2232
Entamoeba histolytica hypothetical protein 0.0082 0.0327 0.0924
Echinococcus multilocularis tumor protein p63 0.033 0.2702 0.254
Entamoeba histolytica P-glycoprotein-1 0.0219 0.1638 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0094 0.0438 0.0438
Leishmania major pentamidine resistance protein 1 0.0082 0.0327 0.0112
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0071 0.0217 0.0025
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1752 0.1589
Schistosoma mansoni multidrug resistance protein 0.0219 0.1638 0.1638
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0082 0.0327 0.0112
Brugia malayi Carboxyl transferase domain containing protein 0.1053 0.9634 1
Schistosoma mansoni multidrug resistance protein 0.0082 0.0327 0.0327
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0148 0.0955 0.0955
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0082 0.0327 0.0112
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.024 0.0023
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0148 0.0955 0.2232
Leishmania major acetyl-CoA carboxylase, putative 0.1091 1 1
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0094 0.0438 0.0381
Loa Loa (eye worm) multidrug resistance protein 3 0.0219 0.1638 0.17
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0219 0.1638 0.3103
Leishmania major carboxylase, putative 0.0416 0.3522 0.3379
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0084 0.0344 0.013
Trichomonas vaginalis abcb9, putative 0.0219 0.1638 0.6923
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0186 0.1321 0.7809
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0416 0.3522 1
Echinococcus granulosus tumor protein p63 0.033 0.2702 0.2558
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0082 0.0327 0.0112
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0219 0.1638 0.6923
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0084 0.0344 0.0154
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0416 0.3522 0.3379
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0148 0.0955 0.2232
Echinococcus multilocularis multidrug resistance protein 1 0.0219 0.1638 0.1452
Brugia malayi ABC transporter family protein 0.0071 0.0217 0.0025
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0082 0.0327 0.0112
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0219 0.1638 0.4298
Trichomonas vaginalis ABC transporter, putative 0.0219 0.1638 0.6923
Entamoeba histolytica P-glycoprotein 5, putative 0.0219 0.1638 1
Schistosoma mansoni acetyl-CoA carboxylase 0.1091 1 1
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0071 0.0217 0.0217
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0094 0.0438 0.0438
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0083 0.0331 0.0344
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0219 0.1638 0.6923
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0082 0.0327 0.0189
Onchocerca volvulus 0.0219 0.1638 0.7184
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0148 0.0955 0.2232
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.0233 0.0191
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0148 0.0955 0.0754
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0416 0.3522 0.3522
Trypanosoma cruzi multidrug resistance protein E, putative 0.0082 0.0327 0.0189
Entamoeba histolytica ATP-binding cassette protein, putative 0.0082 0.0327 0.0924
Entamoeba histolytica ABC transporter, putative 0.0082 0.0327 0.0924
Loa Loa (eye worm) hypothetical protein 0.0082 0.0327 0.0339
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0219 0.1638 0.1473
Schistosoma mansoni voltage-gated potassium channel 0.009 0.0399 0.0399
Echinococcus granulosus multidrug resistance associated protein 7 0.0082 0.0327 0.0136
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0148 0.0955 0.2232
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.024 0.0048
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0416 0.3522 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0416 0.3522 0.3379
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.6001 0.5912
Brugia malayi ABC transporter family protein 0.0219 0.1638 0.153
Giardia lamblia MRP-like ABC transporter 0.0082 0.0327 0.1183
Giardia lamblia ABC transporter, putative 0.0082 0.0327 0.1183
Trypanosoma brucei p-glycoprotein 0.0082 0.0327 0.0112
Brugia malayi Pre-SET motif family protein 0.0251 0.1946 0.1857
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0148 0.0955 0.0754
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0219 0.1638 0.6923
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0094 0.0438 0.0381
Entamoeba histolytica P-glycoprotein-5 0.0219 0.1638 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0233 0.0241
Loa Loa (eye worm) hypothetical protein 0.0178 0.1244 0.1291
Leishmania major p-glycoprotein e 0.0082 0.0327 0.0112
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.079 0.7109 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0416 0.3522 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2279 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0416 0.3522 0.3395
Brugia malayi multidrug resistance protein 3 0.0219 0.1638 0.153
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0148 0.0955 0.2232
Loa Loa (eye worm) ABC transporter 0.0071 0.0217 0.0225
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0219 0.1638 0.1473
Entamoeba histolytica ATP-binding cassette protein, putative 0.0082 0.0327 0.0924
Entamoeba histolytica ATP-binding cassette protein, putative 0.0082 0.0327 0.0924
Toxoplasma gondii hypothetical protein 0.0178 0.1244 0.105
Echinococcus granulosus sodium channel protein 0.0084 0.0344 0.0154
Trypanosoma brucei acetyl-CoA carboxylase 0.1091 1 1
Schistosoma mansoni multidrug resistance protein 0.0071 0.0217 0.0217
Echinococcus multilocularis ATP binding cassette sub family B 0.0217 0.1614 0.1428
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0219 0.1638 0.6923
Giardia lamblia Multidrug resistance-associated protein 1 0.0082 0.0327 0.1183
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0219 0.1638 0.6923
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0219 0.1638 0.1473
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0217 0.1614 0.1449
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1091 1 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0148 0.0955 0.2232
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.024 0.024
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0178 0.1244 0.1291
Loa Loa (eye worm) ABC transporter 0.0071 0.0217 0.0225
Echinococcus granulosus multidrug resistance protein 1 0.0219 0.1638 0.1473
Chlamydia trachomatis biotin carboxylase 0.0377 0.3156 1
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0094 0.0438 0.0226
Loa Loa (eye worm) hypothetical protein 0.0219 0.1638 0.17
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0148 0.0955 0.2232
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0148 0.0955 0.0754
Leishmania major ABC-thiol transporter 0.0082 0.0327 0.0112
Giardia lamblia Multidrug resistance-associated protein 1 0.0082 0.0327 0.1183
Brugia malayi ABC transporter family protein 0.0071 0.0217 0.0025
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.024 0.024
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0148 0.0955 0.0754
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0219 0.1638 0.6923
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0416 0.3522 0.3522
Trypanosoma brucei multidrug resistance protein E 0.0082 0.0327 0.0112
Schistosoma mansoni voltage-gated potassium channel 0.009 0.0399 0.0399
Echinococcus granulosus ATP binding cassette sub family B 0.0071 0.0217 0.0024
Schistosoma mansoni smdr2 0.0219 0.1638 0.1638
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0068 0.0193 0.0193
Schistosoma mansoni multidrug resistance protein 0.0082 0.0327 0.0327
Entamoeba histolytica P-glycoprotein 6, putative 0.0071 0.0217 0.0164
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0083 0.0331 0.0141
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1091 1 1
Schistosoma mansoni multidrug resistance protein 0.0219 0.1638 0.1638
Brugia malayi hypothetical protein 0.0231 0.1752 0.1651
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.024 0.007
Echinococcus granulosus geminin 0.0205 0.1499 0.1331
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.0233 0.0191
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.024 0.0023
Echinococcus multilocularis multidrug resistance protein 1 0.0219 0.1638 0.1452
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0219 0.1638 0.6923
Echinococcus granulosus microtubule associated protein 2 0.0674 0.6001 0.5922
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0219 0.1638 0.6923
Entamoeba histolytica P-glyco protein 6, putative 0.0219 0.1638 1
Leishmania major carbamoyl-phosphate synthase, putative 0.0094 0.0438 0.0226
Loa Loa (eye worm) hypothetical protein 0.0178 0.1244 0.1291
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0082 0.0327 0.0339
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0416 0.3522 1
Trichomonas vaginalis ABC transporter, putative 0.0219 0.1638 0.6923
Plasmodium vivax multidrug resistance protein 1, putative 0.0219 0.1638 0.2061
Trichomonas vaginalis ABC transporter, putative 0.0219 0.1638 0.6923
Schistosoma mansoni multidrug resistance protein 0.0082 0.0327 0.0327
Echinococcus multilocularis multidrug resistance associated protein 1 0.0082 0.0327 0.0112
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0219 0.1638 0.6923
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0416 0.3522 0.5701
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.079 0.7109 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.024 0.007
Loa Loa (eye worm) hypothetical protein 0.0068 0.0193 0.02
Schistosoma mansoni multidrug resistance protein 0.0082 0.0327 0.0327
Brugia malayi ABC transporter family protein 0.0071 0.0217 0.0025
Brugia malayi multidrug resistance related protein 1 0.0082 0.0327 0.0141
Entamoeba histolytica P-glycoprotein 6, putative 0.0071 0.0217 0.0164
Schistosoma mansoni aspartate carbamoyltransferase 0.0094 0.0438 0.0438
Schistosoma mansoni pyruvate carboxylase 0.0416 0.3522 0.3522
Echinococcus multilocularis multidrug resistance associated protein 7 0.0082 0.0327 0.0112
Loa Loa (eye worm) hypothetical protein 0.0219 0.1638 0.17
Entamoeba histolytica P-glycoprotein-2, putative 0.0219 0.1638 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0151 0.0981 0.3777
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0148 0.0955 0.2232
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0219 0.1638 0.1452
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0219 0.1638 0.1452
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0219 0.1638 0.17
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0219 0.1638 0.1452

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 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 Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 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

Species name Source Reference Is orphan
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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