Detailed information for compound 1424959

Basic information

Technical information
  • TDR Targets ID: 1424959
  • Name: methyl 2-[(3-bromophenyl)amino]propanoate
  • MW: 258.112 | Formula: C10H12BrNO2
  • H donors: 1 H acceptors: 1 LogP: 2.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(Nc1cccc(c1)Br)C
  • InChi: 1S/C10H12BrNO2/c1-7(10(13)14-2)12-9-5-3-4-8(11)6-9/h3-7,12H,1-2H3
  • InChiKey: KBMDHYZUTXCHNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3-bromophenyl)amino]propanoic acid methyl ester
  • 2-[(3-bromophenyl)amino]propionic acid methyl ester
  • methyl N-(3-bromophenyl)alaninate
  • Oprea1_180744
  • ChemDiv3_000444
  • MLS000766713
  • SMR000339609

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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 granulosus guanine nucleotide binding protein Gs subunit 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
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
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
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 multilocularis guanine nucleotide binding protein G(s) subunit 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0044 0.0794 0.0786
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0039 0.0616 0.0571
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0061 0.1483 0.0932
Trypanosoma cruzi trypanothione reductase, putative 0.0061 0.1483 0.1827
Echinococcus granulosus heat shock protein 90 0.0042 0.0722 0.0699
Echinococcus multilocularis endoplasmin 0.0039 0.0616 0.0571
Treponema pallidum heat shock protein 90 0.0039 0.0616 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0708 0.0099
Plasmodium vivax endoplasmin, putative 0.0042 0.0722 0.1074
Schistosoma mansoni heat shock protein 0.0042 0.0722 0.0699
Echinococcus granulosus thioredoxin glutathione reductase 0.0061 0.1516 0.1658
Loa Loa (eye worm) RNA binding protein 0.0144 0.4898 0.4824
Loa Loa (eye worm) hypothetical protein 0.0042 0.0708 0.0573
Brugia malayi glutathione reductase 0.0061 0.1483 0.136
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0708 0.0682
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.023 0.8426 1
Brugia malayi Endoplasmin precursor 0.0042 0.0722 0.0587
Brugia malayi beta-lactamase family protein 0.0042 0.0708 0.0573
Leishmania major mitochondrial DNA polymerase beta 0.0207 0.7478 0.8856
Trypanosoma brucei heat shock protein 90, putative 0.0042 0.0722 0.0789
Toxoplasma gondii ABC1 family protein 0.0042 0.0708 0.0682
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0154 0.53 1
Brugia malayi beta-lactamase 0.0042 0.0708 0.0573
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.1156 0.058
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0616 0.0684
Loa Loa (eye worm) hypothetical protein 0.0042 0.0708 0.0573
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0029 0.019 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4898 0.5741
Trichomonas vaginalis set domain proteins, putative 0.0244 0.9 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0159 0.5532 0.6506
Plasmodium falciparum thioredoxin reductase 0.0061 0.1483 0.2681
Trypanosoma cruzi heat shock protein 85, putative 0.0042 0.0722 0.0789
Toxoplasma gondii hypothetical protein 0.0033 0.0366 0.0269
Mycobacterium ulcerans hypothetical protein 0.0109 0.3465 0.3648
Toxoplasma gondii heat shock protein HSP90 0.0042 0.0722 0.0699
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0044 0.0794 0.0786
Mycobacterium leprae Probable lipase LipE 0.0042 0.0708 0.0197
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0207 0.7478 1
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4898 0.5741
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Echinococcus granulosus endoplasmin 0.0039 0.0616 0.0571
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0708 0.0099
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0138 0.4667 0.8649
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0051 0.1075 0.1125
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0708 0.0682
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0708 0.0787
Echinococcus multilocularis thioredoxin glutathione reductase 0.0061 0.1516 0.1658
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.023 0.8426 1
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4898 0.5741
Onchocerca volvulus 0.0031 0.0258 0.013
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0708 0.0118
Giardia lamblia Grp94/Hsp90 0.0039 0.0616 0.5748
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0708 0.0118
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4898 0.5741
Echinococcus multilocularis heat shock protein 90 0.0036 0.0473 0.0398
Loa Loa (eye worm) glutathione reductase 0.0061 0.1483 0.136
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0044 0.0794 0.066
Loa Loa (eye worm) hypothetical protein 0.0031 0.0258 0.0117
Mycobacterium tuberculosis Conserved protein 0.0042 0.0708 0.0099
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0029 0.019 0.0064
Mycobacterium tuberculosis Conserved hypothetical protein 0.0109 0.3465 0.306
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0708 0.0682
Plasmodium falciparum heat shock protein 90 0.0042 0.0722 0.1305
Toxoplasma gondii aldehyde dehydrogenase 0.023 0.8426 1
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Echinococcus granulosus heat shock protein 0.0042 0.0722 0.0699
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0053 0.1156 0.1223
Plasmodium vivax thioredoxin reductase, putative 0.0061 0.1483 0.2487
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0708 0.0573
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0708 0.0099
Mycobacterium tuberculosis Probable dehydrogenase 0.0138 0.4667 0.4352
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0708 0.0099
Brugia malayi TAR-binding protein 0.0144 0.4898 0.4824
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Loa Loa (eye worm) hypothetical protein 0.0042 0.0708 0.0573
Schistosoma mansoni hypothetical protein 0.0205 0.7389 0.8748
Trypanosoma cruzi heat shock protein 85, putative 0.0036 0.0473 0.0449
Brugia malayi beta-lactamase family protein 0.0042 0.0708 0.0573
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0268 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0708 0.0787
Trypanosoma brucei Heat shock protein 83, putative 0.0042 0.0722 0.0789
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Mycobacterium ulcerans aldehyde dehydrogenase 0.023 0.8426 1
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0044 0.0794 0.1208
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0098 0.3011 0.3463
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0039 0.0616 0.5
Plasmodium vivax heat shock protein 86, putative 0.0042 0.0722 0.1074
Schistosoma mansoni endoplasmin 0.0042 0.0722 0.0699
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.7786 0.7754
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0212 0.0083
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0258 0.0139
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0708 0.1049
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1263 0.1352
Schistosoma mansoni aldehyde dehydrogenase 0.023 0.8426 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0708 0.077
Trypanosoma brucei trypanothione reductase 0.0061 0.1483 0.1827
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1263 0.1352
Trichomonas vaginalis esterase, putative 0.0042 0.0708 0.0787
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.1156 0.0692
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0044 0.0794 0.066
Loa Loa (eye worm) hypothetical protein 0.0042 0.0708 0.0573
Echinococcus granulosus geminin 0.0205 0.7389 0.8748
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0207 0.7478 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.1156 0.0692
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0708 0.0099
Echinococcus multilocularis expressed protein 0.0044 0.0794 0.0786
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Trypanosoma cruzi heat shock protein 90, putative 0.0042 0.0722 0.0789
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0708 0.0787
Brugia malayi Pre-SET motif family protein 0.0214 0.7786 0.7754
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0138 0.4667 0.4352
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.4898 0.4824
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0051 0.1075 0.1125
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0138 0.4667 0.4352
Echinococcus multilocularis heat shock protein 0.0042 0.0722 0.0699
Loa Loa (eye worm) thioredoxin reductase 0.0061 0.1483 0.136
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0138 0.4667 0.4352
Echinococcus multilocularis heat shock protein 90 0.0042 0.0722 0.0699
Plasmodium vivax SET domain protein, putative 0.0031 0.0258 0.0214
Plasmodium vivax heat shock protein, putative 0.0159 0.5532 1
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Schistosoma mansoni hypothetical protein 0.0205 0.7389 0.8748
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Onchocerca volvulus 0.0244 0.9 1
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0708 0.0787
Schistosoma mansoni aldehyde dehydrogenase 0.023 0.8426 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0207 0.7478 1
Trypanosoma cruzi heat shock protein 85, putative 0.0042 0.0722 0.0789
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0616 0.0684
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0258 0.0139
Mycobacterium ulcerans aldehyde dehydrogenase 0.023 0.8426 1
Schistosoma mansoni lipoxygenase 0.0051 0.1075 0.1125
Plasmodium falciparum heat shock protein 90, putative 0.0159 0.5532 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1263 0.1136
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Mycobacterium tuberculosis Probable oxidoreductase 0.0154 0.53 0.5032
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0053 0.1156 0.1223
Onchocerca volvulus 0.0042 0.0708 0.0638
Loa Loa (eye worm) hypothetical protein 0.0042 0.0708 0.0573
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1263 0.1352
Mycobacterium ulcerans hypothetical protein 0.0042 0.0708 0.0118
Trichomonas vaginalis endoplasmin, putative 0.0031 0.0249 0.0277
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0708 0.077
Schistosoma mansoni heat shock protein 0.0042 0.0722 0.0699
Mycobacterium ulcerans beta-lactamase 0.0042 0.0708 0.0118
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0258 0.0139
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0258 0.0139
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0708 0.0197
Giardia lamblia Heat shock protein HSP 90-alpha 0.0042 0.0722 1
Loa Loa (eye worm) endoplasmin 0.0042 0.0722 0.0587
Brugia malayi Pre-SET motif family protein 0.0031 0.0258 0.0117
Trypanosoma cruzi Heat shock protein 83, putative 0.0042 0.0722 0.0789
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0029 0.019 0.0064
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0138 0.4667 0.4352
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0258 0.0139
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Mycobacterium tuberculosis Conserved protein 0.0042 0.0708 0.0099
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0708 0.0787
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Onchocerca volvulus 0.0042 0.0708 0.0638
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.1156 0.1028
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Trichomonas vaginalis heat shock protein, putative 0.0031 0.0249 0.0277
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0044 0.0794 0.1436
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4898 0.5741
Plasmodium falciparum endoplasmin, putative 0.0031 0.0249 0.045
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0708 0.0099
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0053 0.1156 0.1223
Echinococcus granulosus tar DNA binding protein 0.0144 0.4898 0.5741
Echinococcus granulosus heat shock protein 90 0.0036 0.0473 0.0398
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0154 0.53 0.5032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1263 0.1352
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.9925 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.023 0.8426 1
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Entamoeba histolytica heat shock protein 90, putative 0.0042 0.0722 1
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.4898 0.4824
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0258 0.0139
Trypanosoma brucei heat shock protein 90, putative 0.0042 0.0722 0.0789
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0708 0.077
Leishmania major trypanothione reductase 0.0061 0.1483 0.1618
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0708 0.0099
Echinococcus multilocularis tar DNA binding protein 0.0144 0.4898 0.5741
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Trichomonas vaginalis heat shock protein, putative 0.0036 0.0473 0.0525
Trypanosoma cruzi heat shock protein 85, putative 0.0042 0.0722 0.0789
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0154 0.53 0.5032
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0029 0.019 0.0064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1263 0.1352
Loa Loa (eye worm) heat shock protein 90 0.0042 0.0722 0.0587
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0098 0.3011 0.391
Entamoeba histolytica heat shock protein 90, putative 0.0042 0.0722 1
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Schistosoma mansoni endoplasmin 0.0042 0.0722 0.0699
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1263 0.1352
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.023 0.8426 0.839
Plasmodium falciparum glutathione reductase 0.0061 0.1483 0.2681
Toxoplasma gondii TIM10 family protein, putative 0.0044 0.0794 0.0786
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0053 0.1156 0.1223
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1263 0.1136
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0098 0.3011 0.391
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0035 0.0451 0.042
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0722 0.0802
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0708 0.0682
Plasmodium vivax glutathione reductase, putative 0.0061 0.1483 0.2487
Echinococcus granulosus expressed protein 0.0044 0.0794 0.0786
Brugia malayi Thioredoxin reductase 0.0061 0.1483 0.136
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0036 0.0473 0.0398
Loa Loa (eye worm) TAR-binding protein 0.0144 0.4898 0.4824
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0049 0.1011 0.088
Trypanosoma cruzi heat shock protein 90, putative 0.0036 0.0473 0.0449
Echinococcus multilocularis geminin 0.0205 0.7389 0.8748
Mycobacterium tuberculosis Conserved protein 0.0042 0.0708 0.0099
Loa Loa (eye worm) beta-lactamase 0.0042 0.0708 0.0573
Brugia malayi RNA binding protein 0.0144 0.4898 0.4824
Loa Loa (eye worm) hypothetical protein 0.0042 0.0708 0.0573
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Toxoplasma gondii thioredoxin reductase 0.0061 0.1483 0.1618
Leishmania major hypothetical protein, conserved 0.0042 0.0708 0.0682
Leishmania major heat shock protein 83-1 0.0042 0.0722 0.0699
Brugia malayi heat shock protein 90 0.0042 0.0722 0.0587
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1263 0.1352
Mycobacterium ulcerans lipase LipD 0.0042 0.0708 0.0118
Mycobacterium tuberculosis Probable reductase 0.0138 0.4667 0.4352
Onchocerca volvulus 0.0042 0.0708 0.0638
Trypanosoma brucei heat shock protein, putative 0.0042 0.0722 0.0789
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0708 0.0573
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0258 0.0139
Mycobacterium ulcerans aldehyde dehydrogenase 0.023 0.8426 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0258 0.0139
Toxoplasma gondii heat shock protein 90, putative 0.0042 0.0722 0.0699

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 2.3109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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