Detailed information for compound 1285745

Basic information

Technical information
  • TDR Targets ID: 1285745
  • Name: N'-(2-fluorobenzoyl)thiophene-2-carbohydrazid e
  • MW: 264.275 | Formula: C12H9FN2O2S
  • H donors: 2 H acceptors: 2 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccs1)NNC(=O)c1ccccc1F
  • InChi: 1S/C12H9FN2O2S/c13-9-5-2-1-4-8(9)11(16)14-15-12(17)10-6-3-7-18-10/h1-7H,(H,14,16)(H,15,17)
  • InChiKey: RSWCBUDYLVUNOB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(2-fluorophenyl)-oxomethyl]-2-thiophenecarbohydrazide
  • N'-(2-fluorophenyl)carbonylthiophene-2-carbohydrazide
  • 2-Fluoro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
  • BAS 00678321
  • ZINC00296406

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.026 0.2838
Onchocerca volvulus 0.0012 0.0072 0.0058
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0881 0.099
Echinococcus multilocularis ferritin 0.001 0.005 0.0051
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0478 0.0529
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0072 0.0083
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.026 0.0426
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0881 1
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2679 0.3774
Entamoeba histolytica hypothetical protein 0.0043 0.0498 0.3976
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0095 0.1191 0.1667
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0478 0.0657
Onchocerca volvulus 0.0029 0.0297 0.0283
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0014 0.0023
Mycobacterium ulcerans bacterioferritin BfrA 0.001 0.005 0.0413
Echinococcus multilocularis expressed conserved protein 0.0092 0.1151 0.161
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2679 0.3774
Loa Loa (eye worm) follicle stimulating hormone receptor 0.051 0.6795 0.7738
Mycobacterium tuberculosis Conserved protein 0.0072 0.0881 0.1444
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0072 0.067
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.026 0.2022
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0881 0.1444
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0459 0.6105 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0881 0.099
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.0072 0.0494
Schistosoma mansoni hypothetical protein 0.004 0.0458 0.0628
Schistosoma mansoni topbp1 0.0012 0.0072 0.0083
Onchocerca volvulus 0.0095 0.1191 0.1178
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0054 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0095 0.1191 0.1667
Brugia malayi Latrophilin receptor protein 2 0.005 0.0592 0.0659
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.0072 0.0066
Brugia malayi CXXC zinc finger family protein 0.0029 0.0297 0.0322
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2679 0.3774
Trichomonas vaginalis ferritin, putative 0.001 0.005 0.0036
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0011 0.0054 0.0057
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0592 0.0659
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0159 0.2061 0.2336
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0014 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0095 0.1191 0.1667
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.0072 1
Schistosoma mansoni hypothetical protein 0.0531 0.7075 1
Schistosoma mansoni topbp1 0.0012 0.0072 0.0083
Brugia malayi beta-lactamase family protein 0.0072 0.0881 0.099
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0054 0.0057
Mycobacterium ulcerans beta-lactamase 0.0072 0.0881 1
Mycobacterium ulcerans lipase LipD 0.0072 0.0881 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.005 0.0413
Echinococcus granulosus histone lysine methyltransferase setb 0.0095 0.1191 0.1666
Loa Loa (eye worm) hypothetical protein 0.0072 0.0881 0.099
Schistosoma mansoni patched 1 0.0042 0.0478 0.0657
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0881 1
Toxoplasma gondii ABC1 family protein 0.0072 0.0881 0.7371
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0172 0.0282
Brugia malayi DKFZp564C0469 protein 0.0012 0.0072 0.0066
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.1231 0.1723
Entamoeba histolytica hypothetical protein 0.0043 0.0498 0.3976
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0066
Brugia malayi beta-lactamase 0.0072 0.0881 0.099
Schistosoma mansoni hypothetical protein 0.0109 0.1381 0.1936
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.0072 0.067
Schistosoma mansoni cpg binding protein 0.0029 0.0297 0.0401
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0014 0.0023
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0066
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0881 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.026 0.2838
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.026 0.2838
Schistosoma mansoni hypothetical protein 0.0043 0.0498 0.0686
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0881 0.1444
Echinococcus granulosus cpg binding protein 0.003 0.0319 0.0431
Echinococcus multilocularis protein patched 0.0042 0.0478 0.0657
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0011 0.0054 0.0057
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0881 0.7371
Schistosoma mansoni hypothetical protein 0.005 0.0592 0.0819
Onchocerca volvulus 0.0072 0.0881 0.0868
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0014 0.0023
Loa Loa (eye worm) TAR-binding protein 0.0205 0.2679 0.3041
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.026 0.2838
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0066
Mycobacterium tuberculosis Conserved protein 0.0072 0.0881 0.1444
Echinococcus granulosus geminin 0.0531 0.7075 1
Entamoeba histolytica hypothetical protein 0.0043 0.0498 0.3976
Loa Loa (eye worm) hypothetical protein 0.0019 0.0172 0.018
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0095 0.1191 0.1666
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0172 1
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2679 0.3774
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0072 0.0058
Schistosoma mansoni cpg binding protein 0.003 0.0319 0.0432
Echinococcus multilocularis cpg binding protein 0.003 0.0319 0.0431
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0172 0.1822
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0881 0.0868
Loa Loa (eye worm) hypothetical protein 0.0159 0.2061 0.2336
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.3235 0.4562
Mycobacterium ulcerans hypothetical protein 0.0072 0.0881 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.026 0.0281
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0881 0.1444
Loa Loa (eye worm) hypothetical protein 0.0026 0.026 0.0281
Echinococcus multilocularis geminin 0.0531 0.7075 1
Schistosoma mansoni hypothetical protein 0.005 0.0592 0.0819
Mycobacterium ulcerans hypothetical protein 0.0026 0.026 0.2838
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.026 0.2838
Loa Loa (eye worm) hypothetical protein 0.0026 0.026 0.0281
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0297 0.0322
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0014 0.0023
Onchocerca volvulus 0.0026 0.026 0.0246
Schistosoma mansoni ferritin 0.001 0.005 0.0051
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.059 0.0657
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0881 0.0868
Schistosoma mansoni apoferritin-2 0.001 0.005 0.0051
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0881 0.1228
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0881 0.0868
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0159 0.2061 0.2336
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0584 0.065
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0592 0.0818
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.1251 0.1752
Schistosoma mansoni hypothetical protein 0.005 0.0592 0.0819
Loa Loa (eye worm) hypothetical protein 0.0109 0.1381 0.156
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0592 0.0818
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0078 0.009
Treponema pallidum DNA ligase (lig) 0.0012 0.0072 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0881 0.0868
Mycobacterium ulcerans bacterioferritin BfrB 0.001 0.005 0.0413
Echinococcus multilocularis GPCR, family 2 0.005 0.0592 0.0818
Loa Loa (eye worm) beta-lactamase 0.0072 0.0881 0.099
Onchocerca volvulus 0.0072 0.0881 0.0868
Schistosoma mansoni survival motor neuron protein 0.005 0.059 0.0816
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.0072 0.0494
Brugia malayi AMP-binding enzyme family protein 0.0026 0.026 0.0281
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0584 0.0807
Brugia malayi latrophilin 2 splice variant baaae 0.0109 0.1381 0.156
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.026 0.2838
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.0072 0.067
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0.005 0.0082
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.026 0.0426
Echinococcus granulosus mixed lineage leukemia protein mll 0.0011 0.0054 0.0057
Brugia malayi AMP-binding enzyme family protein 0.0026 0.026 0.0281
Brugia malayi Calcitonin receptor-like protein seb-1 0.0159 0.2061 0.2336
Echinococcus granulosus nibrin 0.0012 0.0072 0.0082
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.0072 0.0494
Onchocerca volvulus 0.005 0.059 0.0576
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0657 0.8776 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0158 0.0259
Brugia malayi RNA binding protein 0.0205 0.2679 0.3041
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0066
Loa Loa (eye worm) hypothetical protein 0.0051 0.0605 0.0675
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.026 0.2022
Loa Loa (eye worm) hypothetical protein 0.005 0.0592 0.0659
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0014 0.0023
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0498 0.0685
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.0072 0.0066
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0078 0.009
Brugia malayi hypothetical protein 0.0012 0.0072 0.0066
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0014 0.0001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0592 0.0659
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0584 0.065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0584 0.0807
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.1797 0.2525
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0172 0.1343
Echinococcus multilocularis tar DNA binding protein 0.0205 0.2679 0.3774
Schistosoma mansoni DNA ligase IV 0.0012 0.0072 0.0083
Brugia malayi TAR-binding protein 0.0205 0.2679 0.3041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0881 0.1228
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0095 0.1191 1
Leishmania major hypothetical protein, conserved 0.0072 0.0881 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.026 0.2838
Brugia malayi hypothetical protein 0.0043 0.0498 0.0552
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0158 0.0259
Brugia malayi Pre-SET motif family protein 0.0657 0.8776 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.0881 0.1444
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0072 0.067
Echinococcus multilocularis nibrin 0.0012 0.0072 0.0082
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0881 0.099
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.1231 0.1723
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0881 0.1228
Loa Loa (eye worm) RNA binding protein 0.0205 0.2679 0.3041
Echinococcus granulosus GPCR family 2 0.005 0.0592 0.0818
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0014 0.0023
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0688 0.5724
Loa Loa (eye worm) hypothetical protein 0.0019 0.0172 0.018
Loa Loa (eye worm) hypothetical protein 0.0246 0.3235 0.3676
Echinococcus multilocularis protein dispatched 1 0.0048 0.0558 0.077
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0478 0.0464
Schistosoma mansoni ferritin 0.001 0.005 0.0051
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0078 0.0072
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0072 0.0058
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0076 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0072 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0205 0.2679 0.3774
Brugia malayi AMP-binding enzyme family protein 0.0026 0.026 0.0281
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0014 0.0023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0498 0.0685
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.026 0.2838
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0014 0.0023
Brugia malayi beta-lactamase family protein 0.0072 0.0881 0.099
Brugia malayi follicle stimulating hormone receptor 0.051 0.6795 0.7738
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0478 0.0657
Schistosoma mansoni hypothetical protein 0.004 0.0458 0.0628
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0158 0.0259
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0.005 0.0082
Schistosoma mansoni ferritin 0.001 0.005 0.0051
Brugia malayi hypothetical protein 0.0246 0.3235 0.3676
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0095 0.1191 0.1667
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0881 1
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0881 0.1444
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0072 0.0058
Loa Loa (eye worm) hypothetical protein 0.0095 0.1191 0.1343
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0881 0.1444
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0066
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.0072 0.0058
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0095 0.1191 0.1666
Trichomonas vaginalis esterase, putative 0.0072 0.0881 0.0868
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.026 0.2838
Schistosoma mansoni hypothetical protein 0.005 0.0592 0.0819
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0881 0.1228
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0014 0.0023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0584 0.0807
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.0072 0.067
Schistosoma mansoni ferritin light chain 0.001 0.005 0.0051
Loa Loa (eye worm) hypothetical protein 0.0072 0.0881 0.099
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0592 0.0818
Brugia malayi topoisomerase 0.0012 0.0072 0.0066
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0881 1
Entamoeba histolytica hypothetical protein 0.0043 0.0498 0.3976
Loa Loa (eye worm) hypothetical protein 0.0072 0.0881 0.099
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.0072 0.067
Loa Loa (eye worm) hypothetical protein 0.0019 0.0172 0.018
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.026 0.2838
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.1797 0.2525
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.0072 0.3677
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.026 0.2838
Echinococcus granulosus expressed protein 0.001 0.005 0.0051
Schistosoma mansoni apoferritin-2 0.001 0.005 0.0051
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0478 0.0657
Brugia malayi hypothetical protein 0.0012 0.0072 0.0066
Mycobacterium leprae Probable lipase LipE 0.0072 0.0881 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.0072 0.067
Echinococcus granulosus expressed conserved protein 0.0092 0.1151 0.161
Loa Loa (eye worm) hypothetical protein 0.0019 0.0172 0.018
Echinococcus granulosus tar DNA binding protein 0.0205 0.2679 0.3774
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0775 0.1078
Entamoeba histolytica hypothetical protein 0.0012 0.0072 0.0477
Loa Loa (eye worm) hypothetical protein 0.0072 0.0881 0.099
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0091 0.1135 0.1588
Schistosoma mansoni hypothetical protein 0.004 0.0458 0.0628
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0072 0.0058
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0881 0.0868
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.1231 0.1389
Schistosoma mansoni ferritin 0.001 0.005 0.0051
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0205 0.2679 0.3041
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.026 0.2838
Echinococcus multilocularis expressed protein 0.001 0.005 0.0051
Echinococcus granulosus ferritin 0.001 0.005 0.0051
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0881 0.1444
Brugia malayi CHE-14 protein 0.0042 0.0478 0.0529
Schistosoma mansoni hypothetical protein 0.005 0.059 0.0816
Brugia malayi RNA recognition motif domain containing protein 0.0205 0.2679 0.3041
Schistosoma mansoni hypothetical protein 0.0531 0.7075 1
Schistosoma mansoni cpg binding protein 0.003 0.0319 0.0432
Brugia malayi Pre-SET motif family protein 0.0095 0.1191 0.1343
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0172 1
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.3235 0.4562
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0158 0.0259
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0072 0.0082
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0498 0.0686
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0072 0.0082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0584 0.0807
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.0072 0.0477
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0881 0.1444
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0072 0.0058
Loa Loa (eye worm) hypothetical protein 0.0019 0.0172 0.018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0584 0.0807
Loa Loa (eye worm) hypothetical protein 0.0042 0.0478 0.0529
Onchocerca volvulus 0.0072 0.0881 0.0868
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0881 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0881 0.099
Giardia lamblia Replication factor C, subunit 1 0.0012 0.0072 0.5
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0014 0.0023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0584 0.0807
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0072 0.0058
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.1231 1
Plasmodium vivax SET domain protein, putative 0.0095 0.1191 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.0072 0.0058
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0584 0.0807
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0592 0.0818
Schistosoma mansoni ferritin light chain 0.001 0.005 0.0051
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0072 0.0058
Schistosoma mansoni hypothetical protein 0.004 0.0458 0.0628
Loa Loa (eye worm) hypothetical protein 0.0098 0.1231 0.1389
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.026 0.2022

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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