Detailed information for compound 1221408

Basic information

Technical information
  • TDR Targets ID: 1221408
  • Name: ZINC08191297
  • MW: 397.287 | Formula: C16H17BrN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1Br)Nc1ccc(c(c1)S(=O)(=O)N(C)C)C
  • InChi: 1S/C16H17BrN2O3S/c1-11-8-9-12(10-15(11)23(21,22)19(2)3)18-16(20)13-6-4-5-7-14(13)17/h4-10H,1-3H3,(H,18,20)
  • InChiKey: DUXVAWPBMQIOOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000760698
  • SMR000370679
  • T5587426

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0585 0.4365
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0043 0.069 0.069
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0125 0.0178
Echinococcus granulosus Smad4 0.0017 0.0117 0.0167
Schistosoma mansoni mixed-lineage leukemia protein mll 0.012 0.2407 0.4775
Brugia malayi beta-lactamase 0.0038 0.0585 0.0585
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0024 0.0282 0.2198
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0585 0.0832
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0839 0.1435
Leishmania major trypanothione reductase 0.0049 0.0839 0.6783
Loa Loa (eye worm) hypothetical protein 0.0038 0.0585 0.0585
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0585 0.8399
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0117 0.0167
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.2917 0.2917
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0582 0.8095
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.069 0.7913
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.2917 0.5787
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0585 0.8399
Trichomonas vaginalis esterase, putative 0.0038 0.0585 0.8399
Mycobacterium tuberculosis Probable reductase 0.0113 0.2238 0.4248
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0616 0.6871
Loa Loa (eye worm) acetyltransferase 0.014 0.2846 0.2846
Schistosoma mansoni hypothetical protein 0.0205 0.4275 0.8483
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0616 0.0876
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0024 0.0282 0.0282
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0616 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0658 0.747
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0024 0.0282 0.2198
Toxoplasma gondii thioredoxin reductase 0.0049 0.0839 0.3442
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.014 0.2846 0.4049
Schistosoma mansoni hypothetical protein 0.0048 0.0806 0.1599
Schistosoma mansoni hypothetical protein 0.0103 0.2035 0.4037
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0839 0.0839
Leishmania major hypothetical protein, conserved 0.0038 0.0585 0.4365
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0024 0.0282 0.381
Brugia malayi MH1 domain containing protein 0.0017 0.0117 0.0117
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0616 0.4661
Schistosoma mansoni ap endonuclease 0.0039 0.0616 0.1222
Onchocerca volvulus 0.0038 0.0585 0.0608
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0043 0.069 0.0982
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0024 0.0282 0.381
Toxoplasma gondii exonuclease III APE 0.0039 0.0616 0.2365
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.2515 0.4807
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0806 0.0806
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.1177 0.2116
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.3093 0.3093
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0095 0.0135
Loa Loa (eye worm) fli-1 protein 0.0239 0.504 0.504
Brugia malayi hypothetical protein 0.0035 0.0528 0.0528
Mycobacterium tuberculosis Conserved protein 0.0038 0.0585 0.0923
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0125 0.0249
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0616 0.0616
Mycobacterium ulcerans beta-lactamase 0.0038 0.0585 0.4365
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0125 0.0178
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1177 0.2336
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0658 0.2571
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0585 0.8399
Loa Loa (eye worm) transcription factor SMAD2 0.0245 0.5179 0.5179
Schistosoma mansoni ets-related 0.0239 0.504 1
Brugia malayi glutathione reductase 0.0049 0.0839 0.0839
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0025 0.0025
Brugia malayi beta-lactamase family protein 0.0038 0.0585 0.0585
Mycobacterium ulcerans lipase LipD 0.0038 0.0585 0.4365
Echinococcus granulosus tumor protein p63 0.0329 0.7029 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0585 0.0585
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0135 0.0135
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0616 0.8683
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0585 0.116
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.2238 0.8561
Brugia malayi MH1 domain containing protein 0.0017 0.0117 0.0117
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1177 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0585 0.0923
Echinococcus granulosus geminin 0.0205 0.4275 0.6082
Onchocerca volvulus 0.0038 0.0585 0.0608
Loa Loa (eye worm) hypothetical protein 0.0156 0.3188 0.3188
Loa Loa (eye worm) hypothetical protein 0.0038 0.0585 0.0585
Loa Loa (eye worm) hypothetical protein 0.0032 0.0455 0.0455
Schistosoma mansoni smad1 5 8 and 0.0017 0.0117 0.0233
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0616 0.8872
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0024 0.0282 0.0402
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.014 0.2846 0.5646
Loa Loa (eye worm) hypothetical protein 0.0048 0.0813 0.0813
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0658 0.2571
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0616 0.0876
Brugia malayi intermediate filament protein 0.0033 0.0468 0.0468
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.1177 0.1675
Schistosoma mansoni lamin 0.0033 0.0468 0.0928
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0582 0.7362
Brugia malayi Fli-1 protein 0.0239 0.504 0.504
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0059 0.0083
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.2515 0.4807
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.2917 0.415
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1177 1
Schistosoma mansoni ap endonuclease 0.0039 0.0616 0.1222
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0024 0.0282 0.2198
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.069 1
Echinococcus granulosus muscleblind protein 0.0156 0.3188 0.4536
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0585 0.4365
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.2515 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0839 0.1193
Loa Loa (eye worm) beta-lactamase 0.0038 0.0585 0.0585
Trypanosoma brucei inositol phosphorylceramide synthase 0.0024 0.0282 0.2198
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.1177 0.5074
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0117 0.0117
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0813 0.1613
Loa Loa (eye worm) hypothetical protein 0.0033 0.0468 0.0468
Onchocerca volvulus 0.0048 0.0813 0.1798
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0043 0.069 0.1369
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0658 0.9519
Schistosoma mansoni hypothetical protein 0.0048 0.0806 0.1599
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0585 0.0923
Loa Loa (eye worm) hypothetical protein 0.0463 1 1
Schistosoma mansoni hypothetical protein 0.0048 0.0806 0.1599
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0806 0.1147
Onchocerca volvulus 0.0051 0.0883 0.2164
Trichomonas vaginalis hypothetical protein 0.0024 0.0282 0.381
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0038 0.0585 0.0585
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.3093 0.3093
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0095 0.0135
Onchocerca volvulus Huntingtin homolog 0.0119 0.2387 1
Schistosoma mansoni hypothetical protein 0.0048 0.0806 0.1599
Brugia malayi MH2 domain containing protein 0.0017 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0024 0.0282 0.0282
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0585 0.0585
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0117 0.0167
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0024 0.0282 0.0282
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.1177 1
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0125 0.1431
Echinococcus multilocularis smad 0.0017 0.0117 0.0167
Loa Loa (eye worm) hypothetical protein 0.0015 0.0082 0.0082
Plasmodium falciparum glutathione reductase 0.0049 0.0839 1
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0024 0.0282 0.2198
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0616 0.0986
Mycobacterium tuberculosis Conserved protein 0.0038 0.0585 0.0923
Echinococcus granulosus mixed lineage leukemia protein mll 0.0014 0.0059 0.0083
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0585 0.8399
Entamoeba histolytica hypothetical protein 0.0035 0.0528 0.6034
Loa Loa (eye worm) hypothetical protein 0.0119 0.2387 0.2387
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0616 0.6871
Brugia malayi acetyltransferase, GNAT family protein 0.014 0.2846 0.2846
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.2917 0.415
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0883 0.0883
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0616 0.6871
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0024 0.0282 0.381
Echinococcus multilocularis lamin dm0 0.0033 0.0468 0.0665
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0585 0.0832
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.5097 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0043 0.069 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0806 0.1147
Loa Loa (eye worm) hypothetical protein 0.0103 0.2035 0.2035
Loa Loa (eye worm) MH2 domain-containing protein 0.0245 0.5179 0.5179
Echinococcus multilocularis tumor protein p63 0.0329 0.7029 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0117 0.0233
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0585 0.0923
Schistosoma mansoni smad1 5 8 and 0.0017 0.0117 0.0233
Schistosoma mansoni intermediate filament proteins 0.0033 0.0468 0.0928
Brugia malayi Ets-domain containing protein 0.0079 0.1491 0.1491
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0059 0.0083
Loa Loa (eye worm) hypothetical protein 0.0048 0.0806 0.0806
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0043 0.069 0.0982
Brugia malayi beta-lactamase family protein 0.0038 0.0585 0.0585
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.2917 0.2917
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.2515 0.4807
Brugia malayi MH2 domain containing protein 0.0017 0.0117 0.0117
Echinococcus multilocularis Smad4 0.0017 0.0117 0.0167
Loa Loa (eye worm) hypothetical protein 0.0119 0.2387 0.2387
Schistosoma mansoni cpg binding protein 0.006 0.1072 0.2128
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0043 0.069 0.5367
Echinococcus multilocularis GA binding protein alpha chain 0.0079 0.1491 0.2121
Plasmodium vivax sphingomyelin synthase 2, putative 0.0024 0.0282 0.2198
Plasmodium falciparum thioredoxin reductase 0.0049 0.0839 1
Echinococcus granulosus lamin 0.0033 0.0468 0.0665
Echinococcus multilocularis ubiquitin specific protease 41 0.0043 0.069 0.0982
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0585 0.0923
Schistosoma mansoni smad 0.0017 0.0117 0.0233
Schistosoma mansoni cpg binding protein 0.006 0.1072 0.2128
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0024 0.0282 0.1491
Brugia malayi Ets-domain containing protein 0.0079 0.1491 0.1491
Onchocerca volvulus 0.0057 0.1001 0.2777
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0125 0.1431
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.2238 0.4248
Brugia malayi Muscleblind-like protein 0.0156 0.3188 0.3188
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0043 0.069 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0616 0.6871
Toxoplasma gondii hypothetical protein 0.0024 0.0282 0.0756
Trypanosoma brucei trypanothione reductase 0.0049 0.0839 1
Echinococcus multilocularis muscleblind protein 1 0.0156 0.3188 0.4536
Loa Loa (eye worm) hypothetical protein 0.0067 0.1238 0.1238
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0135 0.0192
Echinococcus granulosus ubiquitin specific protease 41 0.0043 0.069 0.0982
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0024 0.0282 0.381
Entamoeba histolytica hypothetical protein 0.0035 0.0528 0.6034
Loa Loa (eye worm) hypothetical protein 0.0156 0.3188 0.3188
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0043 0.069 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0117 0.0167
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.0059 0.0116
Loa Loa (eye worm) hypothetical protein 0.0043 0.069 0.069
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.5317 0.5317
Brugia malayi MH2 domain containing protein 0.0245 0.5179 0.5179
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0616 1
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0024 0.0282 0.0282
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.2238 0.4248
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.1177 0.1675
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1177 0.2336
Schistosoma mansoni lamin 0.0033 0.0468 0.0928
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0658 0.9519
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0014 0.0059 0.0083
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0135 0.0192
Brugia malayi Sphingomyelin synthase-related 1 0.0024 0.0282 0.0282
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0117 0.0233
Echinococcus granulosus smad 0.0017 0.0117 0.0167
Echinococcus granulosus lamin dm0 0.0033 0.0468 0.0665
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.069 0.7913
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0616 0.6871
Echinococcus multilocularis lamin 0.0033 0.0468 0.0665
Brugia malayi Smad1 0.0017 0.0117 0.0117
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0117 0.0167
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.0038 0.0585 0.0585
Loa Loa (eye worm) hypothetical protein 0.0024 0.0282 0.0282
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0585 0.6435
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0043 0.069 0.1369
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.2917 0.5787
Echinococcus granulosus GPCR family 2 0.0048 0.0806 0.1147
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.2035 0.2035
Brugia malayi Thioredoxin reductase 0.0049 0.0839 0.0839
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0585 0.0923
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.1001 0.1001
Echinococcus multilocularis GPCR, family 2 0.0048 0.0806 0.1147
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.2759 0.3925
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0806 0.0806
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0582 0.6405
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0585 0.0923
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1177 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0883 0.1752
Schistosoma mansoni hypothetical protein 0.0051 0.0883 0.1752
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0024 0.0282 0.2198
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0024 0.0282 0.2198
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0839 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0585 0.0585
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0468 0.0468
Echinococcus multilocularis cpg binding protein 0.006 0.1072 0.1526
Echinococcus granulosus GA binding protein alpha chain 0.0079 0.1491 0.2121
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0585 0.6435
Entamoeba histolytica hypothetical protein 0.0035 0.0528 0.6034
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0043 0.069 0.0982
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0616 0.8177
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0616 0.0616
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0658 0.0937
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.3093 0.3093
Loa Loa (eye worm) glutathione reductase 0.0049 0.0839 0.0839
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0585 0.6435
Entamoeba histolytica hypothetical protein 0.0035 0.0528 0.6034
Plasmodium vivax glutathione reductase, putative 0.0049 0.0839 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0117 0.0117
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.2917 0.415
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0839 0.1193
Onchocerca volvulus 0.0038 0.0585 0.0608
Mycobacterium tuberculosis Conserved protein 0.0038 0.0585 0.0923
Echinococcus granulosus cpg binding protein 0.006 0.1072 0.1526
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0024 0.0282 0.2198
Toxoplasma gondii ABC1 family protein 0.0038 0.0585 0.2215
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0585 0.6435
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.5317 0.7564
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0585 0.0923
Brugia malayi F/Y-rich N-terminus family protein 0.0017 0.013 0.013
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0024 0.0282 0.2198
Loa Loa (eye worm) hypothetical protein 0.0024 0.0282 0.0282
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0528 0.1048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.2917 0.415
Loa Loa (eye worm) hypothetical protein 0.0024 0.0282 0.0282
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0806 0.1147
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0616 0.4661
Mycobacterium ulcerans hypothetical protein 0.0038 0.0585 0.4365
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0125 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0616 0.8872
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0043 0.069 0.7913
Schistosoma mansoni Smad4 0.0017 0.0117 0.0233
Echinococcus multilocularis muscleblind protein 0.0156 0.3188 0.4536
Brugia malayi CXXC zinc finger family protein 0.0057 0.1001 0.1001
Schistosoma mansoni cpg binding protein 0.0057 0.1001 0.1986
Echinococcus granulosus sphingomyelin synthase protein 1 0.0024 0.0282 0.0402
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0806 0.1147
Schistosoma mansoni spingomyelin synthetase-related 0.0024 0.0282 0.056
Plasmodium vivax sphingomyelin synthase 1, putative 0.0024 0.0282 0.2198
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0024 0.0282 0.0282
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0025 0.0025
Loa Loa (eye worm) Smad1 0.0017 0.0117 0.0117
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0806 0.0806
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.2917 0.5787
Loa Loa (eye worm) hypothetical protein 0.0038 0.0585 0.0585
Schistosoma mansoni gabp alpha 0.0079 0.1491 0.2957
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0528 0.0752
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.2238 0.4248
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0079 0.1491 0.1491
Echinococcus multilocularis musashi 0.0033 0.0468 0.0665
Brugia malayi hypothetical protein 0.0119 0.2387 0.2387
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.5317 0.7564
Echinococcus multilocularis geminin 0.0205 0.4275 0.6082
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.2238 0.4248
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0015 0.0082 0.0082
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0043 0.069 0.0982
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0585 0.116
Echinococcus granulosus intermediate filament protein 0.0033 0.0468 0.0665
Toxoplasma gondii histone lysine methyltransferase SET1 0.0111 0.2198 1
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0839 1
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0282 0.381
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0528 0.0752
Loa Loa (eye worm) hypothetical protein 0.0151 0.3093 0.3093
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0585 0.8399
Onchocerca volvulus Huntingtin homolog 0.0119 0.2387 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0095 0.0095
Schistosoma mansoni hypothetical protein 0.0035 0.0528 0.1048
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.2238 0.4248
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0468 0.0468
Loa Loa (eye worm) hypothetical protein 0.0024 0.0282 0.0282
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0133 0.0133
Brugia malayi hypothetical protein 0.0252 0.5317 0.5317
Schistosoma mansoni hypothetical protein 0.0205 0.4275 0.8483

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.6234 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) 18.3564 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) 18.526 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) 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) 21.3313 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) = 39.8107 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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