Detailed information for compound 1213160

Basic information

Technical information
  • TDR Targets ID: 1213160
  • Name: 2-(2-ethyl-1,3-benzoxazol-5-yl)acetic acid
  • MW: 205.21 | Formula: C11H11NO3
  • H donors: 1 H acceptors: 3 LogP: 2.06 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1oc2c(n1)cc(cc2)CC(=O)O
  • InChi: 1S/C11H11NO3/c1-2-10-12-8-5-7(6-11(13)14)3-4-9(8)15-10/h3-5H,2,6H2,1H3,(H,13,14)
  • InChiKey: HVDCPJSFTRJARN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-ethyl-1,3-benzoxazol-5-yl)ethanoic acid
  • SMR000168911
  • 4X-0873
  • Bionet2_001495
  • MLS000549328

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0133 0.1178 0.1682
Trichomonas vaginalis glucosylceramidase, putative 0.0362 0.3652 0.6762
Schistosoma mansoni alpha-glucosidase 0.0161 0.1475 0.2105
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0121 0.1042 0.33
Plasmodium vivax importin-beta 2, putative 0.0034 0.0103 0.2728
Toxoplasma gondii hypothetical protein 0.0051 0.0285 0.1048
Leishmania major importin beta-1 subunit, putative 0.0028 0.0033 0.0105
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.000001154 0.0000036551
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0182 0.0337
Echinococcus multilocularis ubiquitin specific protease 41 0.0121 0.1042 0.1042
Echinococcus granulosus lysosomal alpha glucosidase 0.0187 0.1757 0.1757
Brugia malayi Importin beta-1 subunit 0.0034 0.0103 0.0104
Entamoeba histolytica hypothetical protein 0.0036 0.0117 0.0833
Trichomonas vaginalis glucosylceramidase, putative 0.0343 0.3452 0.6391
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0379 0.0379
Brugia malayi MH2 domain containing protein 0.0177 0.1654 0.1664
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0103 0.0327
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0077 0.0566 0.3686
Echinococcus multilocularis neuropeptide s receptor 0.0948 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.000001154 0.0000036551
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0786 0.0791
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.23 0.23
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.015 0.1353 0.4287
Echinococcus multilocularis microtubule associated protein 2 0.0671 0.7007 0.7007
Onchocerca volvulus 0.0473 0.486 1
Schistosoma mansoni hypothetical protein 0.0048 0.0256 0.0366
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0316 0.3157 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0379 0.0379
Brugia malayi RNA, U transporter 1 0.0097 0.0787 0.0792
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0182 0.0182
Trichomonas vaginalis conserved hypothetical protein 0.0121 0.1042 0.1929
Brugia malayi hypothetical protein 0.0025 0.000001154 0.0000011613
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0077 0.0566 0.3686
Loa Loa (eye worm) hypothetical protein 0.0237 0.23 0.2314
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.093 0.9808 0.9808
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0077 0.0566 0.8589
Onchocerca volvulus 0.0048 0.0256 0.0527
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0379 0.1394
Schistosoma mansoni tar DNA-binding protein 0.0039 0.0153 0.0218
Brugia malayi Thioredoxin reductase 0.0034 0.0098 0.0099
Trichomonas vaginalis glucosylceramidase, putative 0.0523 0.5401 1
Echinococcus granulosus tar DNA binding protein 0.0039 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0138 0.1231 0.1239
Echinococcus multilocularis lysosomal alpha glucosidase 0.0187 0.1757 0.1757
Trypanosoma brucei trypanothione reductase 0.0034 0.0098 0.0311
Mycobacterium tuberculosis Probable oxidoreductase 0.0086 0.0659 0.4292
Trichomonas vaginalis glucosylceramidase, putative 0.0523 0.5401 1
Onchocerca volvulus 0.006 0.0379 0.0779
Trichomonas vaginalis glucosylceramidase, putative 0.0343 0.3452 0.6391
Schistosoma mansoni hypothetical protein 0.0133 0.1178 0.1682
Loa Loa (eye worm) hypothetical protein 0.0149 0.1348 0.1357
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.015 0.1353 0.4287
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0214 0.0678
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0182 0.0576
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0086 0.0659 0.4292
Brugia malayi follicle stimulating hormone receptor 0.0942 0.9937 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0182 0.0337
Brugia malayi Pre-SET motif family protein 0.006 0.0379 0.0381
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0422 0.4302 0.4329
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0121 0.1042 0.1042
Trichomonas vaginalis glucosylceramidase, putative 0.0343 0.3452 0.6391
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0121 0.1042 0.33
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0117 0.0167
Trichomonas vaginalis glucosylceramidase, putative 0.0343 0.3452 0.6391
Echinococcus granulosus GPCR family 2 0.0133 0.1178 0.1178
Trichomonas vaginalis glucosylceramidase, putative 0.0523 0.5401 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0121 0.1042 0.5
Toxoplasma gondii thioredoxin reductase 0.0034 0.0098 0.0361
Echinococcus multilocularis thioredoxin glutathione reductase 0.0034 0.0098 0.0098
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0033 0.0105
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0416 0.4238 0.4265
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0379 0.0541
Trypanosoma brucei glucosidase, putative 0.0041 0.0182 0.0576
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0182 0.0337
Onchocerca volvulus Huntingtin homolog 0.0138 0.1231 0.2532
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0182 0.0337
Loa Loa (eye worm) hypothetical protein 0.0031 0.0065 0.0065
Entamoeba histolytica hypothetical protein 0.0036 0.0117 0.0833
Trichomonas vaginalis set domain proteins, putative 0.0473 0.486 0.9
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0121 0.1042 0.1042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0786 0.1122
Brugia malayi Latrophilin receptor protein 2 0.0133 0.1178 0.1186
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0256 0.0258
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0133 0.1178 0.1178
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0133 0.1178 0.1178
Trichomonas vaginalis glucosylceramidase, putative 0.0343 0.3452 0.6391
Loa Loa (eye worm) hypothetical protein 0.006 0.0379 0.0381
Trichomonas vaginalis glucosylceramidase, putative 0.0523 0.5401 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0121 0.1042 0.33
Loa Loa (eye worm) hypothetical protein 0.0034 0.0103 0.0104
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0182 0.1473
Trichomonas vaginalis glucosylceramidase, putative 0.0343 0.3452 0.6391
Loa Loa (eye worm) TAR-binding protein 0.0039 0.0153 0.0154
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0103 0.0327
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0086 0.0659 1
Schistosoma mansoni hypothetical protein 0.0031 0.0065 0.0092
Loa Loa (eye worm) hypothetical protein 0.0121 0.1042 0.1048
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0121 0.1042 0.1048
Echinococcus granulosus importin subunit beta 1 0.0034 0.0103 0.0103
Trichomonas vaginalis glucosylceramidase, putative 0.0343 0.3452 0.6391
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.23 0.23
Brugia malayi Glycosyl hydrolases family 31 protein 0.0187 0.1757 0.1768
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0346 0.3481 0.3481
Brugia malayi latrophilin 2 splice variant baaae 0.0288 0.2856 0.2874
Echinococcus multilocularis Spectrin alpha actinin 0.0031 0.0065 0.0065
Plasmodium falciparum thioredoxin reductase 0.0034 0.0098 0.9497
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0086 0.0659 0.4292
Trichomonas vaginalis glucosylceramidase, putative 0.0523 0.5401 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.1231 0.1239
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0786 0.0786
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0182 0.0337
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0786 0.1122
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0034 0.0098 0.0639
Onchocerca volvulus 0.0108 0.0903 0.1859
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0033 0.0062
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.000001154 0.0000036551
Brugia malayi glutathione reductase 0.0034 0.0098 0.0099
Echinococcus multilocularis neuropeptide receptor A26 0.0948 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0166 0.1536 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0033 0.0062
Brugia malayi VAB-10A protein 0.0031 0.0065 0.0065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0786 0.0786
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0182 0.0337
Toxoplasma gondii PAN domain-containing protein 0.0276 0.2718 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0379 0.0541
Schistosoma mansoni hypothetical protein 0.0288 0.2856 0.4076
Loa Loa (eye worm) hypothetical protein 0.0133 0.1178 0.1186
Onchocerca volvulus 0.0149 0.1348 0.2774
Loa Loa (eye worm) hypothetical protein 0.0422 0.4302 0.4329
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0214 0.0678
Echinococcus granulosus Spectrin alpha actinin 0.0031 0.0065 0.0065
Onchocerca volvulus 0.0184 0.173 0.356
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0942 0.9937 1
Onchocerca volvulus Huntingtin homolog 0.0138 0.1231 0.2532
Loa Loa (eye worm) RNA binding protein 0.0039 0.0153 0.0154
Toxoplasma gondii PAN domain-containing protein 0.0276 0.2718 1
Brugia malayi RNA binding protein 0.0039 0.0153 0.0154
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0319 0.1012
Plasmodium vivax SET domain protein, putative 0.006 0.0379 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0077 0.0566 0.3686
Loa Loa (eye worm) hypothetical protein 0.0288 0.2856 0.2874
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0214 0.0678
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0422 0.4302 0.4329
Schistosoma mansoni hypothetical protein 0.0133 0.1178 0.1682
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0523 0.5401 0.5435
Mycobacterium tuberculosis Probable dehydrogenase 0.0077 0.0566 0.3686
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0182 0.0669
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0316 0.3157 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0365 0.369 0.5266
Echinococcus granulosus tm gpcr rhodopsin 0.0346 0.3481 0.3481
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0182 0.0183
Echinococcus multilocularis snurportin 1 0.0365 0.369 0.369
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0182 0.0337
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.000001154 0.0000036551
Trypanosoma cruzi kinetoplast DNA-associated protein, putative 0.0031 0.0065 0.0205
Loa Loa (eye worm) thioredoxin reductase 0.0034 0.0098 0.0099
Loa Loa (eye worm) transcription factor SMAD2 0.0177 0.1654 0.1664
Trichomonas vaginalis glucosylceramidase, putative 0.0523 0.5401 1
Echinococcus multilocularis geminin 0.0563 0.5828 0.5828
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0117 0.0117
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0121 0.1042 0.1042
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.015 0.1353 0.4287
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0121 0.1042 0.1042
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0182 0.0576
Brugia malayi Growth-Arrest-Specific Protein 2 Domain containing protein 0.0031 0.0065 0.0065
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0103 0.0103
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0121 0.1042 0.1487
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0786 0.0791
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0786 0.1122
Schistosoma mansoni importin beta-1 0.0034 0.0103 0.0147
Schistosoma mansoni survival motor neuron protein 0.0048 0.0256 0.0366
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0182 0.1473
Echinococcus granulosus geminin 0.0563 0.5828 0.5828
Schistosoma mansoni hypothetical protein 0.0563 0.5828 0.8318
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0133 0.1178 0.1178
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0039 0.0153 0.0154
Schistosoma mansoni microtubule-associated protein tau 0.0671 0.7007 1
Plasmodium falciparum importin beta, putative 0.0034 0.0103 1
Mycobacterium ulcerans hypothetical protein 0.0166 0.1536 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0158 0.1441 0.9378
Schistosoma mansoni tar DNA-binding protein 0.0039 0.0153 0.0218
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0121 0.1042 0.1929
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0182 0.0183
Brugia malayi TAR-binding protein 0.0039 0.0153 0.0154
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0523 0.5401 0.5435
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0133 0.1178 0.1186
Toxoplasma gondii HEAT repeat-containing protein 0.0034 0.0103 0.038
Trypanosoma cruzi trypanothione reductase, putative 0.0034 0.0098 0.0311
Loa Loa (eye worm) latrophilin receptor protein 2 0.0133 0.1178 0.1186
Echinococcus granulosus snurportin 1 0.0365 0.369 0.369
Trichomonas vaginalis glucosylceramidase, putative 0.0362 0.3652 0.6762
Entamoeba histolytica hypothetical protein 0.0036 0.0117 0.0833
Brugia malayi Pre-SET motif family protein 0.0416 0.4238 0.4265
Entamoeba histolytica hypothetical protein 0.0036 0.0117 0.0833
Schistosoma mansoni hypothetical protein 0.0036 0.0117 0.0167
Echinococcus multilocularis GPCR, family 2 0.0133 0.1178 0.1178
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0365 0.369 0.3714
Leishmania major trypanothione reductase 0.0034 0.0098 0.0311
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0379 0.0541
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0379 0.0541
Echinococcus granulosus ubiquitin specific protease 41 0.0121 0.1042 0.1042
Brugia malayi hypothetical protein 0.0149 0.1348 0.1357
Loa Loa (eye worm) hypothetical protein 0.0025 0.000001154 0.0000011613
Echinococcus granulosus thioredoxin glutathione reductase 0.0034 0.0098 0.0098
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0121 0.1042 0.1487
Brugia malayi hypothetical protein 0.0036 0.0117 0.0118
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0786 0.0786
Plasmodium vivax thioredoxin reductase, putative 0.0034 0.0098 0.2591
Loa Loa (eye worm) glutathione reductase 0.0034 0.0098 0.0099
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0786 0.0786
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0182 0.0337
Leishmania major mitochondrial DNA polymerase beta 0.0316 0.3157 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0182 0.0337
Echinococcus granulosus microtubule associated protein 2 0.0671 0.7007 0.7007
Brugia malayi Calcitonin receptor-like protein seb-1 0.0422 0.4302 0.4329
Onchocerca volvulus Glucosylceramidase homolog 0.0343 0.3452 0.7102
Schistosoma mansoni tar DNA-binding protein 0.0039 0.0153 0.0218
Plasmodium falciparum glutathione reductase 0.0034 0.0098 0.9497
Schistosoma mansoni tar DNA-binding protein 0.0039 0.0153 0.0218
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0121 0.1042 0.33
Loa Loa (eye worm) MH2 domain-containing protein 0.0177 0.1654 0.1664
Schistosoma mansoni tar DNA-binding protein 0.0039 0.0153 0.0218
Brugia malayi hypothetical protein 0.0237 0.23 0.2314
Schistosoma mansoni hypothetical protein 0.0133 0.1178 0.1682
Echinococcus multilocularis tar DNA binding protein 0.0039 0.0153 0.0153
Brugia malayi hypothetical protein 0.0138 0.1231 0.1239
Brugia malayi RNA recognition motif domain containing protein 0.0039 0.0153 0.0154
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0214 0.0678
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0077 0.0566 0.3686
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0355 0.0355
Echinococcus granulosus neuropeptide receptor A26 0.0948 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0316 0.3157 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0121 0.1042 1
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0182 0.0576
Schistosoma mansoni hypothetical protein 0.0031 0.0065 0.0093
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0379 0.0379
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0133 0.1178 0.1178
Schistosoma mansoni alpha-glucosidase 0.0161 0.1475 0.2105
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0187 0.1757 0.1768
Plasmodium vivax glutathione reductase, putative 0.0034 0.0098 0.2591
Schistosoma mansoni alpha glucosidase 0.0041 0.0182 0.026
Loa Loa (eye worm) spectraplakin 0.0031 0.0065 0.0065
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0121 0.1042 0.1929
Mycobacterium tuberculosis Probable reductase 0.0077 0.0566 0.3686
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0182 0.0182
Schistosoma mansoni hypothetical protein 0.0563 0.5828 0.8318
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.000001154 0.0000042457
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0033 0.0062
Echinococcus multilocularis lysosomal alpha glucosidase 0.0187 0.1757 0.1757

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.8913 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) 18.526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 28.1838 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

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.
 
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.

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