Detailed information for compound 1289738

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 431.469 | Formula: C18H21N7O4S
  • H donors: 3 H acceptors: 5 LogP: 0.29 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN(c1c(=O)[nH]c(=O)n(c1N)Cc1ccccc1)C(=O)CSc1n[nH]cn1
  • InChi: 1S/C18H21N7O4S/c1-29-8-7-24(13(26)10-30-17-20-11-21-23-17)14-15(19)25(18(28)22-16(14)27)9-12-5-3-2-4-6-12/h2-6,11H,7-10,19H2,1H3,(H,20,21,23)(H,22,27,28)
  • InChiKey: RDWPQPYSAUANBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0094 0.0236
Echinococcus multilocularis cysteine protease 0.0018 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0094 0.0164
Schistosoma mansoni intermediate filament proteins 0.0089 0.0425 0.1068
Schistosoma mansoni smad 0.0031 0.0088 0.0222
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0197 0.1048 0.1048
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0164 0.4124
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0515 0.2889 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Loa Loa (eye worm) fibroinase 0.0018 0.0016 0.0028
Onchocerca volvulus 0.0081 0.0377 0.6594
Schistosoma mansoni tar DNA-binding protein 0.0209 0.112 0.2816
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0094 0.0215
Brugia malayi beta-lactamase family protein 0.0081 0.0377 0.066
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0094 0.0236
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.0262
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0016 0.0028
Brugia malayi Cathepsin L-like precursor 0.0018 0.0016 0.0028
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Echinococcus granulosus TGF beta signal transducer SmadC 0.0068 0.0307 0.0703
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0062 0.1286
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0112 0.2669
Loa Loa (eye worm) RNA binding protein 0.0209 0.112 0.1958
Loa Loa (eye worm) hypothetical protein 0.0018 0.0014 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0048 0.0884
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0112 0.2706
Loa Loa (eye worm) hypothetical protein 0.0025 0.0055 0.0097
Schistosoma mansoni phosphatidylserine receptor 0.0018 0.0014 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0048 0.0878
Echinococcus granulosus lamin 0.0089 0.0425 0.0972
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0094 0.0164
Leishmania major cathepsin L-like protease 0.0018 0.0016 0.0042
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0393 0.2184 0.4997
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0099 0.2308
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0164 0.0375
Loa Loa (eye worm) hypothetical protein 0.0043 0.0159 0.0278
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.0309 0.8127
Entamoeba histolytica hypothetical protein 0.0109 0.054 1
Brugia malayi jmjC domain containing protein 0.0018 0.0014 0.0025
Loa Loa (eye worm) hypothetical protein 0.0089 0.0425 0.0742
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0016 0.0016
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0043 0.0159 0.0364
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0377 0.0949
Plasmodium falciparum thioredoxin reductase 0.0041 0.0151 1
Loa Loa (eye worm) MH2 domain-containing protein 0.1005 0.5721 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0095 0.0458 0.1121
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0008 0.0019
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0008 0.0008
Brugia malayi Cathepsin L-like precursor 0.0018 0.0016 0.0028
Echinococcus multilocularis jumonji domain containing 1A 0.0018 0.0014 0.0014
Plasmodium vivax vivapain-2 0.0018 0.0016 0.0042
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0105 0.0519 0.1343
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0008 0.0013
Brugia malayi jmjC domain containing protein 0.0067 0.0297 0.052
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.054 0.1235
Brugia malayi nuclear hormone receptor 0.0032 0.0094 0.0164
Brugia malayi Intermediate filament tail domain containing protein 0.0089 0.0425 0.0742
Loa Loa (eye worm) hypothetical protein 0.0081 0.0377 0.066
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0013
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0081 0.0377 0.066
Echinococcus multilocularis phd:f box containing protein 0.0018 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0094 0.0164
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0094 0.1423
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0013
Trypanosoma brucei hypothetical protein, conserved 0.0081 0.0377 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0031 0.0088 0.1321
Plasmodium falciparum glutathione reductase 0.0041 0.0151 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0377 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0309 0.8127
Brugia malayi glutathione reductase 0.0041 0.0151 0.0264
Echinococcus multilocularis cysteine protease 0.0018 0.0016 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0377 1
Brugia malayi beta-lactamase 0.0081 0.0377 0.066
Leishmania major cathepsin L-like protease 0.0069 0.0309 0.8127
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0164 0.4124
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0094 0.0094
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0094 0.0215
Schistosoma mansoni coup transcription factor 0.0032 0.0094 0.0236
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0335
Brugia malayi hypothetical protein 0.0017 0.0008 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0094 0.0164
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0164 0.2828
Loa Loa (eye worm) Smad1 0.0068 0.0307 0.0537
Echinococcus granulosus Smad4 0.0068 0.0307 0.0703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0081 0.1798
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0377 1
Brugia malayi hypothetical protein 0.0025 0.0055 0.0097
Echinococcus granulosus microtubule associated protein 2 0.0704 0.3978 0.9101
Echinococcus multilocularis geminin 0.0556 0.3124 0.3124
Entamoeba histolytica hypothetical protein 0.0109 0.054 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0094 0.0094
Echinococcus multilocularis JmjC domain containing protein 4 0.0018 0.0014 0.0014
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0094 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0112 0.2669
Loa Loa (eye worm) hypothetical protein 0.0018 0.0014 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0099 0.2308
Brugia malayi MH1 domain containing protein 0.0038 0.013 0.0228
Onchocerca volvulus 0.0113 0.0564 1
Loa Loa (eye worm) intermediate filament protein 0.0089 0.0425 0.0742
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0016 0.0042
Echinococcus multilocularis lysine specific demethylase 6a 0.0018 0.0014 0.0014
Leishmania major hypothetical protein, conserved 0.0081 0.0377 1
Echinococcus multilocularis lamin 0.0089 0.0425 0.0425
Echinococcus granulosus intermediate filament protein 0.0089 0.0425 0.0972
Echinococcus multilocularis mothers against decapentaplegic 5 0.0068 0.0307 0.0307
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0094 0.0236
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0099 0.2341
Mycobacterium tuberculosis Conserved protein 0.0081 0.0377 0.0827
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0008 0.0018
Mycobacterium tuberculosis Probable oxidoreductase 0.0105 0.0519 0.1343
Brugia malayi jmjC domain containing protein 0.0018 0.0014 0.0025
Echinococcus multilocularis thyroid hormone receptor alpha 0.0425 0.2367 0.2367
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0067 0.0297 0.068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0094 0.0164
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0094 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0197 0.1048 0.2633
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0016 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Leishmania major cathepsin L-like protease 0.0069 0.0309 0.8127
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0094 0.0094
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0095 0.0458 0.1121
Loa Loa (eye worm) cysteine protease 0.0018 0.0016 0.0028
Plasmodium vivax thioredoxin reductase, putative 0.0041 0.0151 0.3761
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0094 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0048 0.0884
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0043 0.0159 0.0159
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0393 0.2184 0.2184
Echinococcus granulosus tumor protein p63 0.0772 0.4371 1
Schistosoma mansoni cellular tumor antigen P53 0.0113 0.0564 0.1418
Schistosoma mansoni smad 0.0068 0.0307 0.0772
Echinococcus granulosus geminin 0.0556 0.3124 0.7148
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0164 0.4124
Loa Loa (eye worm) TAR-binding protein 0.0209 0.112 0.1958
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0164 0.0287
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0016 0.0055
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0164 0.4124
Brugia malayi ecdysteroid receptor 0.0032 0.0094 0.0164
Brugia malayi photoreceptor-specific nuclear receptor 0.0032 0.0094 0.0164
Brugia malayi MH2 domain containing protein 0.0068 0.0307 0.0537
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0055 0.1129
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0094 0.1423
Plasmodium vivax glutathione reductase, putative 0.0041 0.0151 0.3761
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0105 0.0519 0.1343
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0016 0.0028
Echinococcus granulosus beta LACTamase domain containing family member 0.0081 0.0377 0.0863
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Schistosoma mansoni phd/f-box containing protein 0.0018 0.0014 0.0036
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0094 0.0164
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0068 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0048 0.0878
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0031 0.0456
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0099 0.2308
Onchocerca volvulus 0.0081 0.0377 0.6594
Echinococcus multilocularis mothers against decapentaplegic 6 0.0031 0.0088 0.0088
Brugia malayi RNA binding protein 0.0209 0.112 0.1958
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0164 0.4124
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0008 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0197 0.1048 0.1048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0112 0.2669
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0048 0.0884
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0016 0.004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0094 0.0215
Loa Loa (eye worm) hypothetical protein 0.0081 0.0377 0.066
Brugia malayi Cathepsin L-like precursor 0.0018 0.0016 0.0028
Mycobacterium tuberculosis Conserved protein 0.0081 0.0377 0.0827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0062 0.1286
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0016 0.0042
Mycobacterium ulcerans esterase/lipase LipP 0.0081 0.0377 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.054 0.054
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0112 0.2706
Echinococcus granulosus mothers against decapentaplegic 2 0.0031 0.0088 0.0202
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Echinococcus granulosus smad 0.0068 0.0307 0.0703
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0197 0.1048 0.1831
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0192 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0127 0.3077
Loa Loa (eye worm) MH1 domain-containing protein 0.0031 0.0088 0.0154
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0095 0.0458 0.1121
Loa Loa (eye worm) thioredoxin reductase 0.0041 0.0151 0.0264
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0309 0.8127
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0099 0.2308
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0016 0.004
Loa Loa (eye worm) hypothetical protein 0.0081 0.0377 0.066
Loa Loa (eye worm) MH2 domain-containing protein 0.0068 0.0307 0.0537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0164 0.4099
Toxoplasma gondii cathepsin CPL 0.0018 0.0016 0.0042
Schistosoma mansoni jumonji domain containing protein 0.0018 0.0014 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0112 0.2669
Echinococcus multilocularis mothers against decapentaplegic 2 0.0031 0.0088 0.0088
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0055 0.1129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0048 0.0878
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0094 0.0215
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0094 0.0215
Mycobacterium tuberculosis Conserved protein 0.0081 0.0377 0.0827
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0112 0.2706
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0094 0.0236
Schistosoma mansoni lamin 0.0089 0.0425 0.1068
Brugia malayi beta-lactamase family protein 0.0081 0.0377 0.066
Leishmania major hypothetical protein, conserved 0.0025 0.0055 0.1129
Onchocerca volvulus 0.0089 0.0425 0.7458
Schistosoma mansoni hypothetical protein 0.0556 0.3124 0.7854
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0192 0.0335
Brugia malayi jmjC domain containing protein 0.0018 0.0014 0.0025
Loa Loa (eye worm) glutathione reductase 0.0041 0.0151 0.0264
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0014 0.0025
Mycobacterium tuberculosis Probable reductase 0.0095 0.0458 0.1121
Echinococcus multilocularis smad 0.0068 0.0307 0.0307
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0016 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0061 0.1245
Onchocerca volvulus 0.0032 0.0094 0.1423
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0081 0.0377 0.0949
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0154 0.0154
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0094 0.0164
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0055 0.1129
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0081 0.0377 0.5
Entamoeba histolytica hypothetical protein 0.0109 0.054 1
Plasmodium vivax vivapain-2 0.0018 0.0016 0.0042
Schistosoma mansoni hypothetical protein 0.0109 0.054 0.1357
Trypanosoma cruzi trypanothione reductase, putative 0.0041 0.0151 0.3761
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0094 0.0164
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0209 0.112 0.1958
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0048 0.0884
Brugia malayi Smad1 0.0068 0.0307 0.0537
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0055 0.3003
Trichomonas vaginalis penicillin-binding protein, putative 0.0081 0.0377 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0016 0.0028
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Loa Loa (eye worm) hypothetical protein 0.0018 0.0014 0.0025
Brugia malayi MH2 domain containing protein 0.0068 0.0307 0.0537
Brugia malayi Thioredoxin reductase 0.0041 0.0151 0.0264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Echinococcus multilocularis beta LACTamase domain containing family member 0.0081 0.0377 0.0377
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0048 0.0186 0.0326
Schistosoma mansoni thyroid hormone receptor 0.0425 0.2367 0.595
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0018 0.0014 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0099 0.2308
Schistosoma mansoni smad1 5 8 and 0.0068 0.0307 0.0772
Schistosoma mansoni protein phosphatase 2C 0.0018 0.0014 0.0036
Schistosoma mansoni Smad4 0.0068 0.0307 0.0772
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0094 0.0164
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.054 0.1357
Loa Loa (eye worm) MH1 domain-containing protein 0.0068 0.0307 0.0537
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0154 0.0352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0062 0.1286
Echinococcus granulosus phd:f box containing protein 0.0018 0.0014 0.0033
Brugia malayi TAR-binding protein 0.0209 0.112 0.1958
Echinococcus multilocularis microtubule associated protein 2 0.0704 0.3978 0.3978
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0013
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0105 0.0519 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0094 0.0164
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0008 0.0019
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0164 0.4124
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0094 0.0094
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0075 0.1647
Plasmodium vivax hypothetical protein, conserved 0.0081 0.0377 1
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0377 1
Echinococcus granulosus cathepsin l1 0.0018 0.0016 0.0036
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0068 0.0307 0.0772
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0197 0.1048 0.1831
Trypanosoma brucei trypanothione reductase 0.0041 0.0151 0.3761
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0016 0.0016
Onchocerca volvulus 0.0081 0.0377 0.6594
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0094 0.0236
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0016 0.0016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0197 0.1048 0.2396
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0094 0.0164
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0297 0.052
Brugia malayi MH2 domain containing protein 0.0031 0.0088 0.0154
Mycobacterium tuberculosis Probable dehydrogenase 0.0095 0.0458 0.1121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0094 0.0164
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0014 0.0014
Schistosoma mansoni smad1 5 8 and 0.0068 0.0307 0.0772
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0094 0.0164
Echinococcus multilocularis lamin dm0 0.0089 0.0425 0.0425
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0016 0.0113
Brugia malayi jmjC domain containing protein 0.0067 0.0297 0.052
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0094 0.1423
Entamoeba histolytica hypothetical protein 0.0109 0.054 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0088 0.0154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0094 0.0164
Loa Loa (eye worm) ctsf protein 0.0018 0.0016 0.0028
Mycobacterium ulcerans hypothetical protein 0.0081 0.0377 0.5
Echinococcus granulosus jumonji domain containing 1A 0.0018 0.0014 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0209 0.112 0.2816
Brugia malayi Cathepsin L-like precursor 0.0018 0.0016 0.0028
Loa Loa (eye worm) MH2 domain-containing protein 0.0031 0.0088 0.0154
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0112 0.2669
Leishmania major cathepsin L-like protease 0.0018 0.0016 0.0042
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0094 0.0236
Toxoplasma gondii ABC1 family protein 0.0081 0.0377 1
Toxoplasma gondii thioredoxin reductase 0.0041 0.0151 0.3761
Echinococcus multilocularis tumor protein p63 0.0772 0.4371 0.4371
Brugia malayi Cathepsin L-like precursor 0.0018 0.0016 0.0028
Loa Loa (eye worm) hypothetical protein 0.0017 0.0008 0.0013
Leishmania major cathepsin L-like protease 0.0018 0.0016 0.0042
Loa Loa (eye worm) hypothetical protein 0.0113 0.0564 0.0986
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0089 0.0425 0.0742
Mycobacterium tuberculosis Probable hydrolase 0.0081 0.0377 0.0827
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0094 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0094 0.0164
Trichomonas vaginalis esterase, putative 0.0081 0.0377 1
Schistosoma mansoni Smad4 0.0031 0.0088 0.0222
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Loa Loa (eye worm) transcription factor SMAD2 0.1005 0.5721 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0067 0.0297 0.0747
Brugia malayi intermediate filament protein 0.0089 0.0425 0.0742
Echinococcus multilocularis lysine specific demethylase 5A 0.0067 0.0297 0.0297
Leishmania major cathepsin L-like protease 0.0018 0.0016 0.0042
Schistosoma mansoni jumonji/arid domain-containing protein 0.0067 0.0297 0.0747
Loa Loa (eye worm) hypothetical protein 0.0081 0.0377 0.066
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0016 0.0113
Schistosoma mansoni jumonji domain containing protein 0.0067 0.0297 0.0747
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0014 0.0025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0094 0.0164
Brugia malayi MH1 domain containing protein 0.0068 0.0307 0.0537
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.0275 0.7176
Giardia lamblia GTOR 0.0044 0.0164 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0081 0.0377 0.066
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0055 0.1129
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0094 0.0236
Schistosoma mansoni tar DNA-binding protein 0.0209 0.112 0.2816
Loa Loa (eye worm) hypothetical protein 0.0087 0.0415 0.0726
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0095 0.0458 0.5683
Loa Loa (eye worm) beta-lactamase 0.0081 0.0377 0.066
Loa Loa (eye worm) hypothetical protein 0.0081 0.0377 0.066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0094 0.0164
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0094 0.0094
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0055 0.1129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0061 0.1245
Echinococcus granulosus lamin dm0 0.0089 0.0425 0.0972
Leishmania major trypanothione reductase 0.0041 0.0151 0.3761
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0081 0.0377 0.0827
Schistosoma mansoni hypothetical protein 0.0033 0.0103 0.0259
Echinococcus granulosus JmjC domain containing protein 4 0.0018 0.0014 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0197 0.1048 0.2633
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0197 0.1048 0.2396
Loa Loa (eye worm) hypothetical protein 0.0081 0.0377 0.066
Schistosoma mansoni smad1 5 8 and 0.0068 0.0307 0.0772
Brugia malayi MH1 domain containing protein 0.0068 0.0307 0.0537
Brugia malayi nuclear receptor NHR-88 0.0032 0.0094 0.0164
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0008 0.0013
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0094 0.0094
Brugia malayi nuclear receptor RXR 0.0017 0.0008 0.0013
Echinococcus granulosus mothers against decapentaplegic 6 0.0031 0.0088 0.0202
Mycobacterium tuberculosis Probable lipase LipD 0.0081 0.0377 0.0827
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0081 0.0377 0.0827
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0377 1
Brugia malayi hypothetical protein 0.0109 0.054 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0164 0.4099
Loa Loa (eye worm) nuclear factor I 0.0038 0.013 0.0228
Schistosoma mansoni microtubule-associated protein tau 0.0704 0.3978 1
Onchocerca volvulus 0.0089 0.0425 0.7458
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0164 0.0287
Leishmania major cathepsin L-like protease 0.0069 0.0309 0.8127
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0164 0.0164
Brugia malayi jmjC domain containing protein 0.0018 0.0014 0.0025
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0094 0.0215
Schistosoma mansoni thyroid hormone receptor 0.0425 0.2367 0.595
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0094 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0209 0.112 0.2816
Schistosoma mansoni hypothetical protein 0.0556 0.3124 0.7854
Echinococcus granulosus mothers against decapentaplegic 5 0.0068 0.0307 0.0703
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0164 0.0412
Echinococcus multilocularis musashi 0.0089 0.0425 0.0425
Echinococcus granulosus lysine specific demethylase 6a 0.0018 0.0014 0.0033
Echinococcus multilocularis Smad4 0.0068 0.0307 0.0307
Echinococcus multilocularis tar DNA binding protein 0.0209 0.112 0.112
Loa Loa (eye worm) hypothetical protein 0.0038 0.013 0.0228
Brugia malayi hypothetical protein 0.0017 0.0008 0.0013
Schistosoma mansoni Smad4 0.0031 0.0088 0.0222
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0099 0.2308
Schistosoma mansoni hypothetical protein 0.0393 0.2184 0.5491
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0014 0.0025
Leishmania major cathepsin L-like protease 0.0018 0.0016 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0099 0.2308
Brugia malayi mothers against decapentaplegic homolog 3 0.0031 0.0088 0.0154
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Mycobacterium ulcerans beta-lactamase 0.0081 0.0377 0.5
Brugia malayi MH2 domain containing protein 0.1005 0.5721 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0164 0.2828
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0094 0.0236
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0103 0.018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.0309 0.8127
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0094 0.0164
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0094 0.0215
Mycobacterium tuberculosis Probable esterase LipL 0.0081 0.0377 0.0827
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0192 0.0335
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0094 0.0094
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0055 0.3003
Loa Loa (eye worm) hypothetical protein 0.0033 0.0103 0.018
Loa Loa (eye worm) hypothetical protein 0.0041 0.015 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0164 0.4099
Echinococcus granulosus tar DNA binding protein 0.0209 0.112 0.2563
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0016 0.0016
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0014 0.0033
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0094 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0209 0.112 0.2816
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Brugia malayi hypothetical protein 0.0016 0.0004 0.0007
Mycobacterium ulcerans lipase LipD 0.0081 0.0377 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0081 0.0377 0.0827
Loa Loa (eye worm) hypothetical protein 0.0018 0.0016 0.0028
Schistosoma mansoni lamin 0.0089 0.0425 0.1068
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0094 0.0236
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0016 0.0113
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0095 0.0458 0.1121
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.0309 0.8127
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0067 0.0297 0.0297
Brugia malayi steroid hormone receptor 0.0032 0.0094 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0094 0.0164
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0081 0.0377 0.0827
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0197 0.1048 0.2633
Echinococcus granulosus lysine specific demethylase 5A 0.0067 0.0297 0.068
Trichomonas vaginalis D-aminoacylase, putative 0.0081 0.0377 1
Brugia malayi RNA recognition motif domain containing protein 0.0209 0.112 0.1958
Brugia malayi cytoplasmic intermediate filament protein 0.0048 0.0186 0.0326
Loa Loa (eye worm) hypothetical protein 0.0032 0.0094 0.0164
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0016 0.0028
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.0224 0.5781
Brugia malayi MH1 domain containing protein 0.0038 0.013 0.0228
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0094 0.0164
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0094 0.0236

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 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) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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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