Detailed information for compound 1210529

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 366.48 | Formula: C20H22N4OS
  • H donors: 3 H acceptors: 2 LogP: 3.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1scc(n1)C(c1ccccc1)N)Nc1ccc(cc1)C(C)C
  • InChi: 1S/C20H22N4OS/c1-13(2)14-8-10-16(11-9-14)22-19(25)24-20-23-17(12-26-20)18(21)15-6-4-3-5-7-15/h3-13,18H,21H2,1-2H3,(H2,22,23,24,25)
  • InChiKey: MBOMVNWPERHPRG-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
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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0632 0.2174
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.1265 0.1451
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0144 0.047
Echinococcus multilocularis protein dispatched 1 0.005 0.0483 0.0482
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0251 0.2909 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0122 0.0139
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.004 0.0364 0.0418
Brugia malayi jmjC domain containing protein 0.0099 0.1073 0.3687
Echinococcus granulosus expressed conserved protein 0.0096 0.1035 0.1187
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0022 0.0144 0.047
Schistosoma mansoni hypothetical protein 0.0019 0.0112 0.0129
Loa Loa (eye worm) hypothetical protein 0.0057 0.0566 0.1946
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.2226 0.7651
Brugia malayi Immunoglobulin I-set domain containing protein 0.0057 0.0566 0.1946
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0112 0.0112
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0122 0.0394
Echinococcus multilocularis sentrin specific protease 8 0.0095 0.1032 0.1031
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.004 0.0364 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0122 0.1177
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0144 0.0495
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0057 0.0566 0.0649
Trypanosoma brucei ABC transporter, putative 0.001 0.0001 0.0014
Brugia malayi Death domain containing protein 0.0057 0.0566 0.1946
Loa Loa (eye worm) hypothetical protein 0.0052 0.0505 0.1735
Echinococcus granulosus microtubule associated protein 2 0.0731 0.8716 1
Brugia malayi hypothetical protein 0.0019 0.0112 0.0386
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.111 0.3815
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0008 0.0008
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0321 0.0368
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.004 0.0364 0.0418
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0087 0.0927 0.1062
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0087 0.0927 0.1062
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0022 0.0144 0.0493
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.0144 0.047
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0022 0.0144 0.047
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0251 0.2909 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0226 0.0778
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0495
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.004 0.0364 0.3525
Brugia malayi Bromodomain containing protein 0.003 0.0245 0.0842
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.004 0.0364 0.1229
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0112 0.0128
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.0144 0.047
Entamoeba histolytica P-glycoprotein-2 0.001 0.0008 0.0024
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.001 0.0001 0.0001
Brugia malayi ABC transporter family protein 0.001 0.0008 0.0026
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0074 0.0776 0.2667
Loa Loa (eye worm) hypothetical protein 0.0029 0.0226 0.0778
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Schistosoma mansoni rab6-interacting 0.0019 0.0112 0.0129
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0251 0.2909 1
Echinococcus multilocularis dna polymerase kappa 0.002 0.0122 0.0121
Echinococcus multilocularis expressed conserved protein 0.0139 0.1563 0.1563
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0122 0.0121
Plasmodium falciparum multidrug resistance protein 1 0.001 0.0008 0.0137
Echinococcus multilocularis sentrin specific protease 7 0.0179 0.2046 0.2046
Schistosoma mansoni multidrug resistance protein 0.001 0.0008 0.0009
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0251 0.2909 1
Schistosoma mansoni hypothetical protein 0.003 0.0245 0.0281
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0095 0.1032 0.353
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0055 0.055 0.1889
Loa Loa (eye worm) hypothetical protein 0.0074 0.0776 0.2669
Echinococcus granulosus Ankyrin 0.0057 0.0566 0.0649
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0776 0.2667
Schistosoma mansoni hypothetical protein 0.0042 0.0389 0.0447
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0066 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Entamoeba histolytica P-glycoprotein-1 0.001 0.0008 0.0024
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0095 0.1032 0.353
Brugia malayi jmjC domain containing protein 0.0036 0.0321 0.1105
Loa Loa (eye worm) hypothetical protein 0.0074 0.0776 0.2669
Schistosoma mansoni loxhd1 0.0019 0.0112 0.0129
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0083 0.0803
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0083
Mycobacterium ulcerans hypothetical protein 0.0074 0.0776 0.2667
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0144 0.1849
Schistosoma mansoni multidrug resistance protein 0.001 0.0008 0.0009
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0245 0.0281
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0321 0.1105
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0122 0.0417
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0112 0.0128
Echinococcus multilocularis peregrin 0.003 0.0245 0.0244
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0074 0.0776 0.2667
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0008 0.0007
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0083 0.0287
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.0144 0.0495
Onchocerca volvulus 0.0022 0.0144 0.047
Loa Loa (eye worm) Ulp1 protease 0.0095 0.1032 0.3547
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0179 0.2046 0.7034
Trypanosoma brucei unspecified product 0.002 0.0122 0.3349
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0321 0.0321
Echinococcus multilocularis microtubule associated protein 2 0.0731 0.8716 0.8716
Echinococcus granulosus RUN 0.0019 0.0112 0.0128
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0083 0.1516
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0122 0.0394
Brugia malayi intermediate filament protein 0.0029 0.0226 0.0778
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.111 0.3814
Loa Loa (eye worm) hypothetical protein 0.0175 0.1999 0.6872
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0022 0.0144 0.3954
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0083 0.229
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0022 0.0144 0.0493
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.033 0.0378
Loa Loa (eye worm) hypothetical protein 0.0028 0.022 0.0756
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0122 0.014
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0022 0.0144 0.0493
Entamoeba histolytica hypothetical protein 0.0037 0.033 0.1133
Echinococcus multilocularis Ankyrin 0.0057 0.0566 0.0566
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0022 0.0144 0.1391
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0055 0.055 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0122 0.0419
Echinococcus granulosus peregrin 0.003 0.0245 0.028
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2226 0.2554
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1744
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0022 0.0144 0.0165
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0245 0.6727
Leishmania major DNA polymerase kappa, putative 0.002 0.0122 0.1565
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0074 0.0776 0.265
Onchocerca volvulus 0.0251 0.2909 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1622 0.5577
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0144 0.047
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0022 0.0144 0.2617
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0142
Schistosoma mansoni lipoxygenase 0.0115 0.1265 0.1451
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0112 0.2044
Loa Loa (eye worm) hypothetical protein 0.003 0.0245 0.0842
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0245 0.0842
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.004 0.0364 0.125
Schistosoma mansoni microtubule-associated protein tau 0.0731 0.8716 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0047 0.1296
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.1129 0.1295
Plasmodium falciparum acyl-CoA synthetase 0.0055 0.055 1
Plasmodium vivax sentrin-specific protease 1, putative 0.004 0.0364 0.6619
Trypanosoma brucei unspecified product 0.0014 0.0047 0.1296
Entamoeba histolytica hypothetical protein 0.0037 0.033 0.1133
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0055 0.055 0.187
Plasmodium vivax multidrug resistance protein 1, putative 0.001 0.0008 0.0137
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0828 0.095
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1744
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0083 0.1516
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0144 0.0495
Onchocerca volvulus 0.0029 0.0226 0.0754
Echinococcus granulosus lamin 0.0029 0.0226 0.0259
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0083 0.0083
Schistosoma mansoni patched 1 0.0044 0.0408 0.0468
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0321 0.0369
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0122 0.0417
Onchocerca volvulus 0.0022 0.0144 0.047
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0057 0.0566 0.0649
Loa Loa (eye worm) hypothetical protein 0.0022 0.0144 0.0495
Brugia malayi RNA binding protein 0.0194 0.2226 0.7651
Loa Loa (eye worm) hypothetical protein 0.0053 0.0527 0.1811
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Onchocerca volvulus Netrin receptor homolog 0.0057 0.0566 0.1925
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0095
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0074 0.0776 0.2667
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.004 0.0364 0.6572
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0066 0.0227
Schistosoma mansoni hypothetical protein 0.0037 0.033 0.0379
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.001 0.0008 0.0026
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0776 0.2667
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.004 0.0364 0.1229
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0251 0.2909 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0251 0.2909 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0776 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0776 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1744
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0083 0.0096
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0083
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.0107 0.0344
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.2226 0.7651
Loa Loa (eye worm) hypothetical protein 0.0057 0.0566 0.1946
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.1637 0.1878
Schistosoma mansoni DNA polymerase eta 0.002 0.0122 0.014
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0026
Plasmodium vivax sentrin-specific protease 2, putative 0.004 0.0364 0.6619
Trypanosoma cruzi SUMO1/Ulp2, putative 0.004 0.0364 0.3525
Loa Loa (eye worm) hypothetical protein 0.0055 0.055 0.1891
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.004 0.0364 0.1229
Leishmania major acetyl-CoA synthetase, putative 0.0022 0.0144 0.1849
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0122 0.3349
Echinococcus granulosus intermediate filament protein 0.0029 0.0226 0.0259
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0022 0.0144 0.3954
Plasmodium falciparum phd finger protein, putative 0.003 0.0245 0.4453
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1622 0.5577
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.004 0.0364 0.1251
Schistosoma mansoni ankyrin 23/unc44 0.0057 0.0566 0.0649
Echinococcus granulosus lamin dm0 0.0029 0.0226 0.0259
Trypanosoma brucei ATP-binding cassette protein, putative 0.001 0.0001 0.0014
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0022 0.0144 0.0493
Onchocerca volvulus 0.004 0.0364 0.1229
Loa Loa (eye worm) Ulp1 protease 0.004 0.0364 0.1251
Echinococcus multilocularis RUN 0.0019 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0074 0.0776 0.2669
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0122 0.3349
Schistosoma mansoni hypothetical protein 0.0042 0.0389 0.0447
Echinococcus multilocularis lamin dm0 0.0029 0.0226 0.0226
Plasmodium vivax hypothetical protein, conserved 0.003 0.0245 0.4453
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0022 0.0144 0.0493
Leishmania major DNA polymerase eta, putative 0.002 0.0122 0.1565
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.004 0.0364 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.001 0.0008 0.0207
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0022 0.0144 0.0143
Brugia malayi PHD-finger family protein 0.003 0.0245 0.0842
Schistosoma mansoni polycystin 1-related 0.0019 0.0112 0.0129
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0095 0.1032 0.3547
Loa Loa (eye worm) hypothetical protein 0.004 0.0364 0.1251
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2226 0.2554
Echinococcus granulosus sentrin specific protease 8 0.0095 0.1032 0.1183
Brugia malayi MH2 domain containing protein 0.0144 0.1622 0.5577
Loa Loa (eye worm) hypothetical protein 0.0044 0.0408 0.1404
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0144 0.047
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0087 0.0927 0.0926
Echinococcus multilocularis musashi 0.0029 0.0226 0.0226
Onchocerca volvulus 0.0019 0.0112 0.0361
Echinococcus multilocularis lamin 0.0029 0.0226 0.0226
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0022 0.0144 0.0495
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0022 0.0144 0.0493
Loa Loa (eye worm) hypothetical protein 0.004 0.0364 0.1251
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.004 0.0364 0.1229
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.004 0.0364 0.125
Plasmodium falciparum sentrin-specific protease 1 0.004 0.0364 0.6619
Schistosoma mansoni hypothetical protein 0.0057 0.0566 0.0649
Echinococcus multilocularis sentrin specific protease 1 0.004 0.0364 0.0364
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0144 0.3954
Brugia malayi hypothetical protein 0.0037 0.033 0.1135
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0008 0.0008
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0144 0.1391
Echinococcus multilocularis dna polymerase eta 0.002 0.0122 0.0121
Loa Loa (eye worm) hypothetical protein 0.0014 0.0048 0.0164
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0144 0.047
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0122 0.0419
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.001 0.0005 0.0005
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0008 0.0007
Mycobacterium ulcerans acyl-CoA synthetase 0.0074 0.0776 0.2667
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.004 0.0364 0.6572
Loa Loa (eye worm) hypothetical protein 0.0055 0.055 0.1891
Plasmodium falciparum ABC transporter G family member 2 0.001 0.0001 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Schistosoma mansoni netrin receptor unc5 0.0057 0.0566 0.0649
Onchocerca volvulus 0.0022 0.0144 0.047
Echinococcus granulosus dna polymerase kappa 0.002 0.0122 0.0139
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0776 0.2669
Loa Loa (eye worm) hypothetical protein 0.0055 0.055 0.1891
Loa Loa (eye worm) TAR-binding protein 0.0194 0.2226 0.7651
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0144 0.0495
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0057 0.0566 0.1946
Onchocerca volvulus 0.0029 0.0226 0.0754
Brugia malayi N-terminal motif family protein 0.0175 0.1999 0.6872
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0087 0.0927 0.0926
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.0776 0.2667
Schistosoma mansoni lipoxygenase 0.008 0.0848 0.0973
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0112 0.0112
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0776 0.2667
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.111 0.1109
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.1999 0.6864
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0251 0.2909 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0122 0.0419
Plasmodium vivax acyl-CoA synthetase, putative 0.0055 0.055 1
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0022 0.0144 0.0493
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0048 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0008 0.0007
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.004 0.0364 0.1229
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0074 0.0776 1
Schistosoma mansoni hypothetical protein 0.0042 0.0389 0.0447
Schistosoma mansoni acetyl-CoA synthetase 0.0022 0.0144 0.0165
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.111 0.1273
Echinococcus multilocularis netrin receptor unc 5 0.0057 0.0566 0.0566
Loa Loa (eye worm) oxidoreductase 0.0022 0.0144 0.0495
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0122 0.0394
Brugia malayi hypothetical protein 0.0019 0.0112 0.0386
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.033 0.0379
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0083 0.0803
Trypanosoma brucei unspecified product 0.0014 0.0047 0.1296
Echinococcus granulosus dna polymerase eta 0.002 0.0122 0.0139
Brugia malayi Protein kinase domain containing protein 0.0057 0.0566 0.1946
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0022 0.0144 0.3954
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0022 0.0144 0.0495
Schistosoma mansoni lamin 0.0029 0.0226 0.026
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0776 0.2669
Plasmodium vivax acetyl-CoA synthetase, putative 0.0022 0.0144 0.2617
Entamoeba histolytica acyl-CoA synthetase, putative 0.0074 0.0776 0.2667
Echinococcus granulosus expressed conserved protein 0.0139 0.1563 0.1793
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0408 0.0468
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.1073 0.123
Schistosoma mansoni multidrug resistance protein 0.001 0.0008 0.0009
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0095 0.1032 0.353
Brugia malayi AMP-binding enzyme family protein 0.0074 0.0776 0.2669
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0083 0.229
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0008 0.0008
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.004 0.0364 0.1229
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0112 0.0128
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0083 0.229
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0083 0.0287
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0122 0.014
Trypanosoma brucei SUMO1/Ulp2, putative 0.004 0.0364 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0083 0.0261
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0016
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0022 0.0144 0.0493
Giardia lamblia Sentrin specific protease, putative 0.004 0.0364 0.0869
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.004 0.0364 0.1251
Loa Loa (eye worm) multidrug resistance protein 3 0.001 0.0008 0.0026
Echinococcus multilocularis tar DNA binding protein 0.0194 0.2226 0.2225
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0112 0.2044
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0122 0.0417
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0776 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.033 0.033
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0122 0.1177
Entamoeba histolytica P-glycoprotein 5, putative 0.001 0.0008 0.0024
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.004 0.0364 0.125
Loa Loa (eye worm) hypothetical protein 0.0055 0.055 0.1891
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0008 0.0007
Entamoeba histolytica hypothetical protein 0.0037 0.033 0.1133
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0022 0.0144 0.047
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0142
Echinococcus granulosus death domain containing protein 0.0057 0.0566 0.0649
Leishmania major acetyl-CoA synthetase, putative 0.0022 0.0144 0.1849
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.004 0.0364 0.1229
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0008 0.0007
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0122 0.1177
Onchocerca volvulus 0.0074 0.0776 0.265
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0251 0.2909 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0179 0.2046 0.2348
Entamoeba histolytica P-glycoprotein-2, putative 0.001 0.0008 0.0024
Entamoeba histolytica P-glycoprotein-5 0.001 0.0008 0.0024
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0083 0.0083
Echinococcus granulosus sentrin specific protease 1 0.004 0.0364 0.0417
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.004 0.0364 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0047 0.1296
Schistosoma mansoni intermediate filament proteins 0.0029 0.0226 0.026
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0122 0.1565
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0251 0.2909 1
Echinococcus multilocularis protein patched 0.0044 0.0408 0.0408
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0245 0.028
Plasmodium vivax ABC transporter G family member 2, putative 0.001 0.0001 0.0009
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0122 0.3349
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0022 0.0144 0.047
Echinococcus granulosus netrin receptor unc 5 0.0057 0.0566 0.0649
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2226 0.2554
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0057 0.0566 0.0566
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0321 0.0369
Entamoeba histolytica P-glyco protein 6, putative 0.001 0.0008 0.0024
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0095 0.1032 0.1184
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0408 0.0408
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0364 0.1229
Brugia malayi TAR-binding protein 0.0194 0.2226 0.7651
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0245 0.0244
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0112 0.0386
Trypanosoma cruzi hypothetical protein 0.0095 0.1032 1
Onchocerca volvulus 0.0022 0.0144 0.047
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0083 0.0083
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2226 0.2554
Leishmania major 4-coumarate:coa ligase-like protein 0.0074 0.0776 1
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0144 0.0495
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0122 0.0394
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.1637 0.1636
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0008 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Brugia malayi Doublecortin family protein 0.0019 0.0112 0.0386
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0022 0.0144 0.047
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0122 0.1177
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.004 0.0364 0.125
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.004 0.0364 0.1251
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0122 0.3349
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0083 0.1068
Loa Loa (eye worm) hypothetical protein 0.002 0.0122 0.0419
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0226 0.0778
Brugia malayi isocitrate dehydrogenase 0.0017 0.0083 0.0287
Toxoplasma gondii propionate-CoA ligase 0.0022 0.0144 0.3954
Loa Loa (eye worm) hypothetical protein 0.0019 0.0112 0.0386
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0251 0.2909 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0251 0.2909 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0226 0.0778
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0008 0.0008
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0008 0.0007
Leishmania major p-glycoprotein 0.001 0.0008 0.009
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0251 0.2909 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0112 0.0112
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0513 0.1744
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0122 0.1177
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0055 0.055 0.1891
Brugia malayi Uncoordinated protein 44 0.0057 0.0566 0.1946
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Schistosoma mansoni rab6-interacting 0.0019 0.0112 0.0129
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.001 0.0008 0.0207
Echinococcus multilocularis expressed conserved protein 0.0096 0.1035 0.1035
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0387 0.0444
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.001 0.0001 0.0014
Echinococcus granulosus sentrin specific protease 7 0.0179 0.2046 0.2347
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0008 0.0008
Entamoeba histolytica P-glycoprotein-2 0.001 0.0008 0.0024
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0048 0.0054
Brugia malayi multidrug resistance protein 3 0.001 0.0008 0.0026
Loa Loa (eye worm) RNA binding protein 0.0194 0.2226 0.7651
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0408 0.1404
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.1265 0.1264
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0022 0.0144 0.1391
Loa Loa (eye worm) hypothetical protein 0.0019 0.0112 0.0386
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.1073 0.1072
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0022 0.0144 0.047
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0102 0.111 0.3815
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0074 0.0776 0.265
Brugia malayi CHE-14 protein 0.0044 0.0408 0.1404
Schistosoma mansoni smdr2 0.001 0.0008 0.0009
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.001 0.0008 0.009
Giardia lamblia PHD finger protein 15 0.003 0.0245 0.0441
Loa Loa (eye worm) hypothetical protein 0.004 0.0364 0.1251
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0083 0.229
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Entamoeba histolytica hypothetical protein 0.0037 0.033 0.1133
Onchocerca volvulus Alhambra homolog 0.003 0.0245 0.0818
Onchocerca volvulus 0.0019 0.0112 0.0361
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0122 0.3349
Trichomonas vaginalis Sentrin-specific protease, putative 0.0095 0.1032 0.353
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0022 0.0144 0.0493
Schistosoma mansoni lamin 0.0029 0.0226 0.026
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0408 0.0468
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0022 0.0144 0.047
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0245 0.6727
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.004 0.0364 0.4686
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0251 0.2909 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0074 0.0776 0.2667
Echinococcus multilocularis ATP binding cassette sub family B 0.001 0.0005 0.0004
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0095 0.1032 0.3546
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0026
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0047 0.1296
Schistosoma mansoni hypothetical protein 0.0042 0.0389 0.0447
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0408 0.1381
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0144 0.0493
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0144 0.1391
Echinococcus granulosus tar DNA binding protein 0.0194 0.2226 0.2553
Schistosoma mansoni tumor necrosis factor receptor related 0.0087 0.0927 0.1063
Mycobacterium ulcerans acetyl-CoA synthetase 0.0022 0.0144 0.0493
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2226 0.2554
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0022 0.0144 0.0495

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 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) 11.2202 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) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) 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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