Detailed information for compound 1229212

Basic information

Technical information
  • TDR Targets ID: 1229212
  • Name: 1-(3-methoxyphenyl)-2-[(5-thiophen-2-yl-1,3,4 -oxadiazol-2-yl)sulfanyl]ethanone
  • MW: 332.397 | Formula: C15H12N2O3S2
  • H donors: 0 H acceptors: 3 LogP: 3.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(=O)CSc1nnc(o1)c1cccs1
  • InChi: 1S/C15H12N2O3S2/c1-19-11-5-2-4-10(8-11)12(18)9-22-15-17-16-14(20-15)13-6-3-7-21-13/h2-8H,9H2,1H3
  • InChiKey: JVWKRGQWDQFRQA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-methoxyphenyl)-2-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
  • 1-(3-methoxyphenyl)-2-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
  • MLS000029614
  • SMR000003246
  • ZINC00416194
  • ASN 04370821
  • 1-(3-Methoxy-phenyl)-2-(5-thiophen-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Toxoplasma gondii ABC1 family protein 0.0036 0.0252 0.0122
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0227 0.0055
Trypanosoma cruzi hexose transporter, putative 0.0064 0.058 0.8107
Brugia malayi hypothetical protein 0.0029 0.0174 0.0624
Loa Loa (eye worm) sugar transporter 0.0029 0.0174 0.0519
Onchocerca volvulus 0.0029 0.0174 0.019
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0252 0.0381
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.004 0.0306 0.0641
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0209 0.2259 0.6753
Loa Loa (eye worm) hypothetical protein 0.0036 0.0252 0.0754
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0243 0.1383
Loa Loa (eye worm) hypothetical protein 0.0026 0.0136 0.0405
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0252 0.0381
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus granulosus calcium dependent protein kinase 0.0059 0.0525 0.0552
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.046 0.0445
Leishmania major glucose transporter, lmgt1 0.0064 0.058 0.8107
Plasmodium falciparum hexose transporter 0.0206 0.2232 0.2094
Echinococcus multilocularis General substrate transporter 0.0177 0.1895 0.1994
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.046 0.5703
Echinococcus multilocularis muscleblind protein 0.0146 0.1533 0.1612
Trypanosoma brucei THT1 - hexose transporter, putative 0.0064 0.058 0.8107
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0252 0.0265
Brugia malayi major facilitator superfamily protein 0.0029 0.0174 0.0624
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.057 0.06
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.057 0.06
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0252 0.1565
Brugia malayi jmjC domain containing protein 0.0095 0.0939 0.3369
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0063 0.057 0.06
Leishmania major glucose transporter/membrane transporter D2, putative 0.0064 0.058 0.8107
Loa Loa (eye worm) hypothetical protein 0.0046 0.0372 0.1111
Schistosoma mansoni glucose transport protein 0.0206 0.2232 0.2329
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0062 0.0556 1
Schistosoma mansoni transient receptor potential channel 0.02 0.2157 0.225
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0604 0.2165
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2232 0.2348
Echinococcus granulosus transient receptor potential ion channel A 0.0292 0.3228 0.3396
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Loa Loa (eye worm) Smad1 0.0016 0.0023 0.007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0244 0.0233
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0227 0.0239
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0029 0.0174 0.0183
Chlamydia trachomatis lysine--tRNA ligase 0.0046 0.0372 1
Trichomonas vaginalis esterase, putative 0.0036 0.0252 0.0381
Schistosoma mansoni transient receptor potential channel 0.02 0.2157 0.225
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0063 0.057 0.06
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0252 0.0339
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0252 0.0265
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0206 0.2232 0.2348
Trypanosoma brucei glucose transporter 1E 0.0064 0.058 0.8107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0252 0.0241
Brugia malayi jmjC domain containing protein 0.0035 0.0244 0.0876
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0062 0.0556 0.0585
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Trypanosoma brucei glucose transporter 2A 0.0064 0.058 0.8107
Leishmania major glucose transporter, lmgt2 0.0064 0.058 0.8107
Echinococcus multilocularis musashi 0.0026 0.0141 0.0149
Onchocerca volvulus Alhambra homolog 0.0029 0.0174 0.0189
Brugia malayi beta-lactamase family protein 0.0036 0.0252 0.0905
Echinococcus granulosus jumonji domain containing protein 0.004 0.0305 0.0321
Schistosoma mansoni hypothetical protein 0.0066 0.0604 0.0612
Onchocerca volvulus 0.0029 0.0174 0.019
Trichomonas vaginalis glucose transporter, putative 0.0064 0.058 0.1973
Onchocerca volvulus 0.0029 0.0174 0.019
Brugia malayi Smad1 0.0016 0.0023 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.058 0.1973
Schistosoma mansoni hypothetical protein 0.0066 0.0604 0.0612
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0066 0.0604 0.0635
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0227 0.0083
Echinococcus multilocularis lamin 0.0026 0.0141 0.0149
Plasmodium falciparum proline--tRNA ligase 0.0072 0.0675 0.051
Giardia lamblia Prolyl-tRNA synthetase 0.0062 0.0556 1
Echinococcus multilocularis smad 0.0016 0.0023 0.0025
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0062 0.0556 0.0561
Echinococcus granulosus smad 0.0016 0.0023 0.0025
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.046 0.0291
Schistosoma mansoni protein kinase 0.0063 0.057 0.0577
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0039 0.0291 0.0506
Schistosoma mansoni protein kinase 0.0063 0.057 0.0577
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0227 0.1065
Schistosoma mansoni hypothetical protein 0.0066 0.0604 0.0612
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0227 0.0239
Echinococcus granulosus lamin dm0 0.0026 0.0141 0.0149
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.057 0.06
Mycobacterium ulcerans beta-lactamase 0.0036 0.0252 0.5746
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0907 0.3253
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0333 0.3706 0.3595
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0939 0.0988
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0252 0.0241
Loa Loa (eye worm) sugar transporter 0.0206 0.2232 0.6671
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.057 0.0577
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0023 0.0025
Onchocerca volvulus 0.0174 0.1852 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0252 0.0339
Trichomonas vaginalis CAMK family protein kinase 0.0063 0.057 0.1927
Echinococcus multilocularis solute carrier family 22 0.0029 0.0174 0.0183
Echinococcus multilocularis solute carrier family 22 0.0029 0.0174 0.0183
Brugia malayi MH1 domain containing protein 0.0016 0.0023 0.0083
Echinococcus multilocularis GPCR, family 2 0.0066 0.0604 0.0635
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0252 0.0381
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0046 0.0372 0.395
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0141 0.0422
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.046 0.0291
Schistosoma mansoni transient receptor potential channel 0.0302 0.3345 0.3503
Echinococcus granulosus geminin 0.0697 0.7921 0.8333
Plasmodium vivax hexose transporter 0.0206 0.2232 0.2094
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus multilocularis muscleblind protein 1 0.0146 0.1533 0.1612
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0252 0.0339
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.046 0.5703
Toxoplasma gondii facilitative glucose transporter GT1 0.0206 0.2232 0.3201
Echinococcus multilocularis synaptic vesicle 2 protein 0.0029 0.0174 0.0183
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0174 0.0624
Giardia lamblia Hexose transporter 0.0029 0.0174 0.0008
Onchocerca volvulus 0.0036 0.0252 0.0648
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0206 0.2232 0.2348
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9506 1
Schistosoma mansoni hypothetical protein 0.0697 0.7921 0.8329
Brugia malayi Sugar transporter family protein 0.0206 0.2232 0.8008
Brugia malayi Sugar transporter family protein 0.0029 0.0174 0.0624
Echinococcus granulosus short transient receptor potential channel 6 0.02 0.2157 0.227
Loa Loa (eye worm) hypothetical protein 0.005 0.0421 0.1258
Echinococcus granulosus Sugar transporter ERD6 protein 0.0029 0.0174 0.0183
Plasmodium vivax lysine--tRNA ligase, putative 0.0046 0.0372 0.0202
Loa Loa (eye worm) hypothetical protein 0.0174 0.1852 0.5537
Brugia malayi PHD-finger family protein 0.0029 0.0174 0.0622
Schistosoma mansoni hypothetical protein 0.0066 0.0604 0.0612
Echinococcus granulosus neuropeptide s receptor 0.056 0.6336 0.6666
Echinococcus multilocularis lamin dm0 0.0026 0.0141 0.0149
Onchocerca volvulus 0.0036 0.0252 0.0648
Loa Loa (eye worm) hypothetical protein 0.0209 0.2259 0.6753
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Trypanosoma brucei THT1 - hexose transporter, putative 0.0064 0.058 0.8107
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0244 0.0233
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0252 0.5746
Loa Loa (eye worm) hypothetical protein 0.0062 0.0556 0.1661
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0252 0.0381
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus granulosus intermediate filament protein 0.0026 0.0141 0.0149
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.046 0.0291
Brugia malayi Muscleblind-like protein 0.0146 0.1533 0.55
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0252 0.0381
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107
Echinococcus multilocularis neuropeptide s receptor 0.056 0.6336 0.6666
Trypanosoma cruzi hexose transporter, putative 0.0064 0.058 0.8107
Schistosoma mansoni lamin 0.0026 0.0141 0.0124
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0252 0.0905
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0063 0.057 0.2046
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0116 0.0122
Echinococcus granulosus General substrate transporter 0.0177 0.1895 0.1994
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0174 0.0519
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0072 0.0675 0.0779
Brugia malayi MH2 domain containing protein 0.0016 0.0023 0.0083
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0174 0.0183
Loa Loa (eye worm) hypothetical protein 0.0146 0.1533 0.4582
Echinococcus multilocularis neuropeptide receptor A26 0.056 0.6336 0.6666
Loa Loa (eye worm) hypothetical protein 0.0143 0.1493 0.4462
Mycobacterium ulcerans lipase LipD 0.0036 0.0252 0.5746
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0252 0.1565
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0063 0.0571 0.0618
Trichomonas vaginalis sugar transporter, putative 0.0064 0.058 0.1973
Loa Loa (eye worm) hypothetical protein 0.0112 0.1142 0.3413
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0227 0.1065
Brugia malayi MH1 domain containing protein 0.0016 0.0023 0.0083
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0063 0.0571 0.0404
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0046 0.0372 0.395
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0227 0.0239
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0023 0.007
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0063 0.057 0.1705
Mycobacterium tuberculosis Conserved protein 0.0036 0.0252 0.0339
Onchocerca volvulus 0.0036 0.0252 0.0648
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0206 0.2232 0.2348
Schistosoma mansoni hypothetical protein 0.0697 0.7921 0.8329
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0174 0.0624
Echinococcus granulosus GPCR family 2 0.0066 0.0604 0.0635
Schistosoma mansoni hypothetical protein 0.0029 0.0174 0.0158
Onchocerca volvulus Putative transporter 0.0029 0.0174 0.019
Trypanosoma cruzi hexose transporter 0.0064 0.058 0.8107
Entamoeba histolytica protein kinase, putative 0.0063 0.057 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2232 0.2348
Loa Loa (eye worm) hypothetical protein 0.0302 0.3345 1
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0227 0.0239
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0227 0.0679
Echinococcus granulosus transient receptor potential gamma protein 0.0302 0.3345 0.3519
Echinococcus multilocularis solute carrier family 22 0.0029 0.0174 0.0183
Echinococcus granulosus solute carrier family 22 0.0029 0.0174 0.0183
Loa Loa (eye worm) hypothetical protein 0.0062 0.0556 0.1661
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0252 0.0339
Loa Loa (eye worm) hypothetical protein 0.0036 0.0252 0.0754
Loa Loa (eye worm) latrophilin receptor protein 2 0.0066 0.0604 0.1804
Trichomonas vaginalis sugar transporter, putative 0.0064 0.058 0.1973
Plasmodium falciparum calcium-dependent protein kinase 5 0.0063 0.0571 0.0404
Brugia malayi hypothetical protein 0.0029 0.0174 0.0624
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0062 0.0556 0.1993
Mycobacterium ulcerans hypothetical protein 0.0036 0.0252 0.5746
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0174 0.0519
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0046 0.0372 0.3937
Brugia malayi Calcitonin receptor-like protein seb-1 0.0209 0.2259 0.8106
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0227 0.0815
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0907 0.0954
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0174 0.0183
Giardia lamblia Sugar-proton symporter 0.0029 0.0174 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0907 0.0932
Echinococcus granulosus Smad4 0.0016 0.0023 0.0025
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Echinococcus multilocularis transient receptor potential gamma protein 0.0302 0.3345 0.3519
Loa Loa (eye worm) hypothetical protein 0.0146 0.1533 0.4582
Onchocerca volvulus 0.0029 0.0174 0.019
Schistosoma mansoni hypothetical protein 0.0024 0.0116 0.0098
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0072 0.0675 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0066 0.0604 0.0635
Plasmodium vivax proline--tRNA ligase, putative 0.0072 0.0675 0.051
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0029 0.0174 0.2954
Mycobacterium ulcerans sugar transporter 0.0029 0.0174 0.2954
Loa Loa (eye worm) hypothetical protein 0.0102 0.1025 0.3064
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0066 0.0604 0.0635
Trypanosoma cruzi hexose transporter, putative 0.0064 0.058 0.8107
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.2489 1
Brugia malayi hypothetical protein 0.0174 0.1852 0.6646
Schistosoma mansoni lamin 0.0026 0.0141 0.0124
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0066 0.0604 0.0635
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0174 0.0624
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Toxoplasma gondii protein kinase, putative 0.0583 0.6602 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0252 0.0339
Loa Loa (eye worm) hypothetical protein 0.0036 0.0252 0.0754
Schistosoma mansoni sugar transporter 0.0029 0.0174 0.0159
Loa Loa (eye worm) hypothetical protein 0.0036 0.0252 0.0754
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0252 0.0339
Toxoplasma gondii lysine-tRNA ligase 0.0046 0.0372 0.0308
Echinococcus multilocularis short transient receptor potential channel 6 0.02 0.2157 0.227
Echinococcus multilocularis transient receptor potential ion channel A 0.0292 0.3228 0.3396
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0141 0.0507
Brugia malayi lysyl-tRNA synthetase 0.0046 0.0372 0.1333
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0227 0.0083
Echinococcus granulosus neuropeptide receptor A26 0.056 0.6336 0.6666
Leishmania major hypothetical protein, conserved 0.0036 0.0252 0.1565
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0252 0.1565
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0023 0.0025
Plasmodium falciparum lysine--tRNA ligase 0.0046 0.0372 0.0202
Brugia malayi MH2 domain containing protein 0.0236 0.257 0.9221
Echinococcus granulosus lamin 0.0026 0.0141 0.0149
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0046 0.0372 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0876 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.057 0.1705
Echinococcus multilocularis peregrin 0.0029 0.0174 0.0183
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0062 0.0556 0.0585
Onchocerca volvulus 0.0029 0.0174 0.019
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0333 0.3706 0.5495
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0252 0.5746
Entamoeba histolytica protein kinase, putative 0.0063 0.057 1
Brugia malayi Transient-receptor-potential like protein 0.0112 0.1142 0.4097
Onchocerca volvulus 0.0029 0.0174 0.019
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0939 0.0988
Schistosoma mansoni sugar transporter 0.0029 0.0174 0.0159
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0072 0.0675 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0244 0.0257
Treponema pallidum prolyl-tRNA synthetase 0.0022 0.0091 0.5
Echinococcus granulosus short transient receptor potential channel 6 0.02 0.2157 0.227
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0252 0.0754
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Brugia malayi Sugar transporter family protein 0.0029 0.0174 0.0624
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0039 0.0291 0.1281
Echinococcus multilocularis geminin 0.0697 0.7921 0.8333
Plasmodium falciparum calcium-dependent protein kinase 2 0.0063 0.0571 0.0404
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0116 0.0122
Loa Loa (eye worm) hypothetical protein 0.0036 0.0252 0.0754
Echinococcus granulosus synaptic vesicle 2 protein 0.0029 0.0174 0.0183
Brugia malayi hypothetical protein 0.0029 0.0174 0.0624
Brugia malayi Bromodomain containing protein 0.0029 0.0174 0.0622
Schistosoma mansoni lysyl-tRNA synthetase 0.0046 0.0372 0.0367
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0063 0.0571 0.0404
Plasmodium falciparum calcium-dependent protein kinase 3 0.0063 0.0571 0.0404
Echinococcus multilocularis solute carrier family 22 0.0029 0.0174 0.0183
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.1237
Brugia malayi MH2 domain containing protein 0.0016 0.0023 0.0083
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.257 0.7682
Trichomonas vaginalis sugar transporter, putative 0.0064 0.058 0.1973
Leishmania major protein kinase, putative 0.0063 0.057 0.7919
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0062 0.0556 0.1855
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0907 0.0932
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0252 0.008
Loa Loa (eye worm) beta-lactamase 0.0036 0.0252 0.0754
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0227 0.0055
Echinococcus granulosus lysyl tRNA synthetase 0.0046 0.0372 0.0391
Brugia malayi follicle stimulating hormone receptor 0.0254 0.2787 1
Brugia malayi hypothetical protein 0.0054 0.046 0.1648
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0713 0.0727
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Loa Loa (eye worm) hypothetical protein 0.0066 0.0604 0.1804
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0907 0.0954
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0907 0.0932
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0227 0.1065
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0062 0.0556 0.9253
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0023 0.007
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0072 0.0675 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0046 0.0372 0.0391
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107
Echinococcus granulosus muscleblind protein 0.0146 0.1533 0.1612
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0023 0.0025
Plasmodium falciparum calcium-dependent protein kinase 1 0.0063 0.0571 0.0404
Loa Loa (eye worm) hypothetical protein 0.0054 0.046 0.1373
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0039 0.0291 0.0506
Schistosoma mansoni intermediate filament proteins 0.0026 0.0141 0.0124
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0227 0.0239
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0604 0.2165
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0907 0.271
Onchocerca volvulus 0.0029 0.0174 0.019
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0252 0.0339
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.046 0.5703
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.058 0.1973
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0025 0.0132 0.0395
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0029 0.0174 0.0159
Brugia malayi isocitrate dehydrogenase 0.0034 0.0227 0.0815
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0063 0.057 0.7919
Schistosoma mansoni glucose transport protein 0.0206 0.2232 0.2329
Schistosoma mansoni glucose transport protein 0.0206 0.2232 0.2329
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0063 0.057 0.1705
Echinococcus multilocularis short transient receptor potential channel 6 0.02 0.2157 0.227
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0532 0.1589
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Leishmania major hypothetical protein, conserved 0.0054 0.046 0.5703
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0227 0.1065
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0062 0.0556 0.0561
Plasmodium falciparum protein kinase 7 0.0583 0.6602 0.6542
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.057 0.06
Plasmodium vivax calcium-dependent protein kinase, putative 0.0063 0.0571 0.0404
Onchocerca volvulus 0.0029 0.0174 0.019
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0254 0.2787 0.8331
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0062 0.0556 0.1993
Brugia malayi beta-lactamase family protein 0.0036 0.0252 0.0905
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.257 0.7682
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0227 0.0239
Schistosoma mansoni hypothetical protein 0.0143 0.1493 0.155
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.9041 0.9511
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0072 0.0675 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0029 0.0174 0.2954
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0227 0.023
Echinococcus multilocularis Smad4 0.0016 0.0023 0.0025
Schistosoma mansoni lysyl-tRNA synthetase 0.0046 0.0372 0.0367
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0063 0.0571 0.0404
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0174 0.0519
Schistosoma mansoni transient receptor potential channel 4 0.0302 0.3345 0.3503
Leishmania major lysyl-tRNA synthetase, putative 0.0046 0.0372 0.395
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0023 0.0025
Brugia malayi intermediate filament protein 0.0026 0.0141 0.0507
Giardia lamblia Lysyl-tRNA synthetase 0.0046 0.0372 0.5186
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0063 0.0571 0.0618
Brugia malayi major facilitator superfamily protein 0.0029 0.0174 0.0624
Echinococcus granulosus TRP transient receptor potential channel 0.0112 0.1142 0.1201
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0141 0.0422
Plasmodium falciparum calcium-dependent protein kinase 4 0.0063 0.0571 0.0404
Brugia malayi beta-lactamase 0.0036 0.0252 0.0905
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0174 0.0158
Onchocerca volvulus 0.0029 0.0174 0.019
Echinococcus granulosus peregrin 0.0029 0.0174 0.0183
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9506 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0907 0.0954
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0029 0.0174 0.5
Brugia malayi Cam kinase protein 1 0.0063 0.057 0.2046
Loa Loa (eye worm) hypothetical protein 0.0036 0.0252 0.0754
Echinococcus multilocularis calcium dependent protein kinase 0.0059 0.0525 0.0552
Trichomonas vaginalis conserved hypothetical protein 0.0206 0.2232 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0305 0.0321
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0112 0.1142 0.1201
Echinococcus granulosus solute carrier family 22 0.0029 0.0174 0.0183
Brugia malayi hypothetical protein 0.0035 0.0239 0.0857
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0244 0.0257
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0063 0.0571 0.0618
Echinococcus granulosus solute carrier family 22 0.0029 0.0174 0.0183
Plasmodium falciparum mitogen-activated protein kinase 2 0.0333 0.3706 0.3595
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0244 0.073
Echinococcus granulosus solute carrier family 22 0.0029 0.0174 0.0183
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0046 0.0372 0.0961
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0907 0.0954
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2232 0.2348
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0206 0.2232 0.2348
Schistosoma mansoni glucose transporter 0.0029 0.0174 0.0159
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9506 1
Mycobacterium ulcerans integral membrane transport protein 0.0029 0.0174 0.2954
Brugia malayi latrophilin 2 splice variant baaae 0.0143 0.1493 0.5356
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0063 0.057 0.06
Trichomonas vaginalis glucose transporter, putative 0.0064 0.058 0.1973
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0252 0.0339
Mycobacterium tuberculosis Conserved protein 0.0036 0.0252 0.0339
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0227 0.0215
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0209 0.2259 0.8106
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0072 0.0675 1
Schistosoma mansoni sugar transporter 0.0029 0.0174 0.0159
Loa Loa (eye worm) hypothetical protein 0.0026 0.0141 0.0422
Schistosoma mansoni protein kinase 0.0063 0.057 0.0577
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0046 0.0372 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0063 0.057 0.06
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0227 0.1065
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2232 0.2348
Trypanosoma brucei THT1 - hexose transporter, putative 0.0064 0.058 0.8107
Loa Loa (eye worm) hypothetical protein 0.019 0.2041 0.61
Schistosoma mansoni hypothetical protein 0.0206 0.2232 0.2329
Schistosoma mansoni sugar transporter 0.0029 0.0174 0.0159
Loa Loa (eye worm) hypothetical protein 0.0029 0.0174 0.0519
Leishmania major glucose transporter, lmgt3 0.0064 0.058 0.8107
Trypanosoma brucei glucose transporter, putative 0.0064 0.058 0.8107

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.5481 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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