Detailed information for compound 277752

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485 | Formula: C19H23ClN5O4S2-
  • H donors: 1 H acceptors: 5 LogP: 2.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(S(=O)(=O)c1ccc(cc1)NS(=O)(=O)C)CCN1CCn2c1nc1c2cccc1.[Cl-]
  • InChi: 1S/C19H23N5O4S2.ClH/c1-22(30(27,28)16-9-7-15(8-10-16)21-29(2,25)26)11-12-23-13-14-24-18-6-4-3-5-17(18)20-19(23)24;/h3-10,21H,11-14H2,1-2H3;1H/p-1
  • InChiKey: XDPXNJKMOUIVHC-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus zinc finger protein 0.0023 0.0055 0.0055
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0695 0.0695
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0161 0.2052 0.4236
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0412 0.0595
Toxoplasma gondii ABC1 family protein 0.004 0.0293 0.0737
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2379 0.2379
Brugia malayi Bromodomain containing protein 0.0042 0.033 0.0469
Echinococcus granulosus GPCR family 2 0.0034 0.0213 0.0213
Echinococcus granulosus tumor protein p63 0.0371 0.511 0.511
Loa Loa (eye worm) hypothetical protein 0.0042 0.0331 0.0791
Echinococcus granulosus dnaJ subfamily B 0.0417 0.5776 0.5776
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0564 0.0932
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.465 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0034 0.0213 0.051
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0.2316 0.5738
Schistosoma mansoni hypothetical protein 0.0034 0.0213 0.0213
Mycobacterium tuberculosis Conserved protein 0.004 0.0293 0.0083
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0352 0.0523
Loa Loa (eye worm) hypothetical protein 0.0045 0.0369 0.0881
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0213 0.0213
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0044 0.0352 0.0246
Loa Loa (eye worm) hypothetical protein 0.0078 0.0847 0.2026
Brugia malayi beta-lactamase 0.004 0.0293 0.0378
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0284 0.384 0.9122
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.1241 0.2734
Brugia malayi AMP-binding enzyme family protein 0.0148 0.1874 0.4291
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0284 0.384 0.9183
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0044 0.0352 0.0246
Loa Loa (eye worm) hypothetical protein 0.0054 0.0508 0.1214
Schistosoma mansoni acetyl-CoA synthetase 0.0044 0.0352 0.0352
Schistosoma mansoni alpha-glucosidase 0.0158 0.2008 0.2008
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0293 0.0083
Entamoeba histolytica hypothetical protein 0.0039 0.0285 0.0383
Loa Loa (eye worm) hypothetical protein 0.0108 0.1282 0.3067
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0284 0.384 0.9154
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0148 0.1874 0.8423
Onchocerca volvulus 0.0054 0.0508 0.0984
Loa Loa (eye worm) hypothetical protein 0.0049 0.0423 0.1012
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0284 0.384 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0309 0.0739
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0293 0.037
Leishmania major 4-coumarate:coa ligase-like protein 0.0148 0.1874 0.3841
Loa Loa (eye worm) hypothetical protein 0.004 0.0293 0.0701
Loa Loa (eye worm) hypothetical protein 0.004 0.0293 0.0701
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0284 0.384 0.9154
Mycobacterium tuberculosis Conserved protein 0.004 0.0293 0.0083
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0044 0.0352 0.0246
Mycobacterium ulcerans glutaminase 0.0307 0.4182 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0148 0.1874 0.4066
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0111 0.1329 0.298
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0476 0.0476
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0352 0.0523
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0044 0.0352 0.1025
Brugia malayi beta-lactamase family protein 0.004 0.0293 0.0378
Mycobacterium ulcerans acyl-CoA synthetase 0.0148 0.1874 0.4066
Schistosoma mansoni zinc finger protein 0.0023 0.0055 0.0055
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0044 0.0352 0.0246
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0476 0.0476
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0293 0.0083
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0309 0.0417
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0284 0.384 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0476 0.0476
Echinococcus granulosus cpg binding protein 0.0033 0.0199 0.0199
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0169 0.217 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0293 0.0083
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0169 0.217 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0169 0.217 0.217
Loa Loa (eye worm) beta-lactamase 0.004 0.0293 0.0701
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0412 0.0595
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0044 0.0352 0.0523
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0476 0.0476
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0148 0.1874 0.4503
Onchocerca volvulus 0.004 0.0293 0.0404
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0169 0.217 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0213 0.0181
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0293 0.0083
Schistosoma mansoni cpg binding protein 0.0029 0.0144 0.0144
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0668 0.0668
Brugia malayi Flap endonuclease-1 0.0029 0.0144 0.0009
Mycobacterium ulcerans acetyl-CoA synthetase 0.0044 0.0352 0.015
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0668 0.0668
Entamoeba histolytica hypothetical protein 0.0039 0.0285 0.0383
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0309 0.0366
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0285 0.0285
Onchocerca volvulus 0.0148 0.1874 0.4681
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0169 0.217 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0148 0.1874 0.4066
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0213 0.0213
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0284 0.384 0.9155
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0668 0.1598
Loa Loa (eye worm) hypothetical protein 0.0148 0.1874 0.4482
Schistosoma mansoni alpha glucosidase 0.0041 0.0309 0.0309
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0668 0.1598
Schistosoma mansoni hypothetical protein 0.0034 0.0213 0.0213
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.1282 0.3067
Mycobacterium ulcerans hypothetical protein 0.0148 0.1874 0.4066
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.2379 0.2379
Entamoeba histolytica acyl-CoA synthetase, putative 0.0148 0.1874 0.4682
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0148 0.1874 0.4066
Trichomonas vaginalis esterase, putative 0.004 0.0293 0.037
Echinococcus granulosus tar DNA binding protein 0.0065 0.0668 0.0668
Schistosoma mansoni glutaminase 0.0307 0.4182 0.4182
Schistosoma mansoni peptidase Clp (S14 family) 0.0169 0.217 0.217
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.2379 0.2379
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0293 0.037
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0044 0.0352 0.0461
Onchocerca volvulus 0.004 0.0293 0.0404
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0309 0.0409
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0044 0.0352 0.015
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0044 0.0352 0.0352
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0103 0.0103
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.1241 0.2734
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0352 0.0523
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0148 0.1874 0.4503
Onchocerca volvulus 0.004 0.0293 0.0404
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0213 0.0213
Loa Loa (eye worm) RNA binding protein 0.0065 0.0668 0.1598
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0293 0.0331
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0144 0.0144
Schistosoma mansoni bromodomain containing protein 0.0071 0.0753 0.0753
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0309 0.0409
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0309 0.0815
Brugia malayi hypothetical protein 0.0039 0.0285 0.0359
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0044 0.0352 0.015
Echinococcus multilocularis GPCR, family 2 0.0034 0.0213 0.0213
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0044 0.0352 0.0461
Brugia malayi glutaminase DH11.1 0.0307 0.4182 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0213 0.051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0476 0.0476
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0044 0.0352 0.0562
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0103 0.0103
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0309 0.0409
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0044 0.0352 0.0461
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0044 0.0352 0.0461
Brugia malayi RNA binding protein 0.0065 0.0668 0.1306
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0293 0.0083
Loa Loa (eye worm) hypothetical protein 0.004 0.0293 0.0701
Schistosoma mansoni hypothetical protein 0.0417 0.5776 0.5776
Loa Loa (eye worm) hypothetical protein 0.0148 0.1874 0.4482
Onchocerca volvulus 0.0284 0.384 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0044 0.0352 0.0523
Leishmania major acetyl-CoA synthetase, putative 0.0044 0.0352 0.0461
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0309 0.0447
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0044 0.0352 0.0461
Loa Loa (eye worm) hypothetical protein 0.0044 0.0352 0.0841
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0412 0.0595
Schistosoma mansoni hypothetical protein 0.0039 0.0285 0.0285
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0284 0.384 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0352 0.0841
Loa Loa (eye worm) hypothetical protein 0.0111 0.1329 0.3179
Schistosoma mansoni cpg binding protein 0.0033 0.0199 0.0199
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0044 0.0352 0.0311
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0668 0.0668
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.2052 0.4236
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0476 0.1139
Loa Loa (eye worm) hypothetical protein 0.0111 0.1329 0.3179
Entamoeba histolytica acyl-coA synthetase, putative 0.0148 0.1874 0.4682
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0044 0.0352 0.015
Schistosoma mansoni cpg binding protein 0.0033 0.0199 0.0199
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0293 0.0083
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0309 0.0366
Toxoplasma gondii hypothetical protein 0.0055 0.0514 0.1826
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0476 0.0831
Trypanosoma brucei glucosidase, putative 0.0041 0.0309 0.0366
Schistosoma mansoni hypothetical protein 0.0034 0.0213 0.0213
Toxoplasma gondii propionate-CoA ligase 0.0044 0.0352 0.1025
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0074 0.0788 0.1883
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0293 0.0701
Toxoplasma gondii hypothetical protein 0.0058 0.0563 0.207
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0284 0.384 0.9154
Mycobacterium tuberculosis Conserved protein 0.004 0.0293 0.0083
Onchocerca volvulus 0.0106 0.1257 0.3012
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0169 0.217 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0044 0.0352 0.0246
Echinococcus multilocularis microtubule associated protein 2 0.0708 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0044 0.0352 0.0246
Leishmania major acetyl-CoA synthetase, putative 0.0044 0.0352 0.0461
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0169 0.217 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0058 0.0563 0.1439
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0044 0.0352 0.015
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0668 0.1306
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0148 0.1874 0.4066
Echinococcus multilocularis cpg binding protein 0.0033 0.0199 0.0199
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0292 0.0292
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0284 0.384 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0562 0.2064
Echinococcus granulosus peptidase Clp S14 family 0.0111 0.1326 0.1326
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0044 0.0352 0.0461
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0339 0.465 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0169 0.217 0.217
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0293 0.0378
Loa Loa (eye worm) hypothetical protein 0.004 0.0293 0.0701
Brugia malayi CXXC zinc finger family protein 0.0029 0.0144 0.0009
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0044 0.0352 0.0841
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0309 0.0309
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0293 0.037
Brugia malayi beta-lactamase family protein 0.004 0.0293 0.0378
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.1241 0.2734
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0621 0.0621
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0044 0.0352 0.1025
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0412 0.0595
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0213 0.0213
Plasmodium falciparum acyl-CoA synthetase 0.0111 0.1329 0.585
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0309 0.0409
Onchocerca volvulus 0.0044 0.0352 0.0562
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0309 0.0409
Loa Loa (eye worm) bromodomain containing protein 0.0019 0 0.0001
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0044 0.0352 0.0246
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Leishmania major hypothetical protein, conserved 0.004 0.0293 0.0331
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0044 0.0352 0.0311
Entamoeba histolytica acyl-CoA synthetase, putative 0.0148 0.1874 0.4682
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0284 0.384 0.9154
Leishmania major 4-coumarate:coa ligase-like protein 0.0148 0.1874 0.3841
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0476 0.0476
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0169 0.217 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0148 0.1874 0.3841
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0309 0.0447
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0788 0.1602
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0309 0.0409
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0309 0.0409
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0044 0.0352 0.015
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0044 0.0352 0.0461
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0058 0.0563 0.207
Mycobacterium ulcerans hypothetical protein 0.0179 0.2316 0.5202
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0105 0.1241 0.2734
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0284 0.384 0.9154
Schistosoma mansoni hypothetical protein 0.0023 0.0048 0.0048
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0044 0.0352 0.0841
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0668 0.0668
Onchocerca volvulus 0.0044 0.0352 0.0562
Schistosoma mansoni flap endonuclease-1 0.0026 0.0103 0.0103
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0292 0.0292
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0044 0.0352 0.015
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0309 0.0409
Loa Loa (eye worm) hypothetical protein 0.0169 0.217 0.519
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0044 0.0352 0.1025
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0285 0.0285
Mycobacterium ulcerans acyl-CoA synthetase 0.0148 0.1874 0.4066
Loa Loa (eye worm) oxidoreductase 0.0044 0.0352 0.0841
Mycobacterium ulcerans acyl-CoA synthetase 0.0044 0.0352 0.015
Loa Loa (eye worm) hypothetical protein 0.0111 0.1329 0.3179
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0044 0.0352 0.0246
Echinococcus multilocularis peptidase Clp (S14 family) 0.0111 0.1326 0.1326
Leishmania major mitochondrial DNA polymerase beta 0.0339 0.465 1
Trichomonas vaginalis glutaminase, putative 0.0307 0.4182 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0111 0.1329 0.585
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0309 0.0409
Loa Loa (eye worm) glutaminase 0.0307 0.4182 1
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0044 0.0352 0.015
Trichomonas vaginalis antibiotic synthetase, putative 0.0044 0.0352 0.0515
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0293 0.0293
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0044 0.0352 0.0311
Entamoeba histolytica hypothetical protein 0.0039 0.0285 0.0383
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0309 0.0309
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0111 0.1326 0.55
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0144 0.0344
Echinococcus multilocularis tumor protein p63 0.0371 0.511 0.511
Schistosoma mansoni microtubule-associated protein tau 0.0708 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0169 0.217 1
Brugia malayi AMP-binding enzyme family protein 0.0044 0.0352 0.0523
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0044 0.0352 0.0352
Mycobacterium ulcerans acyl-CoA synthetase 0.0148 0.1874 0.4066
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0293 0.037
Loa Loa (eye worm) hypothetical protein 0.0148 0.1874 0.4482
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0285 0.0285
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0293 0.0331
Brugia malayi AMP-binding enzyme family protein 0.0148 0.1874 0.4291
Entamoeba histolytica hypothetical protein 0.0039 0.0285 0.0383
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0144 0.0344
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0044 0.0352 0.0246
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.1282 0.2826
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0668 0.0668
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0058 0.0563 0.207
Brugia malayi Probable ClpP-like protease 0.0169 0.217 0.5023
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0293 0.0083
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.1282 0.2826
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0508 0.0508
Schistosoma mansoni hypothetical protein 0.0034 0.0213 0.0213
Loa Loa (eye worm) glutaminase 2 0.0307 0.4182 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0169 0.217 0.4828
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0161 0.2052 0.4236
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0044 0.0352 0.015
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0293 0.0331
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0284 0.384 0.9154
Brugia malayi Bromodomain containing protein 0.0084 0.094 0.1978
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0695 0.0695
Schistosoma mansoni alpha-glucosidase 0.0158 0.2008 0.2008
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0293 0.037
Loa Loa (eye worm) hypothetical protein 0.004 0.0293 0.0701
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0044 0.0352 0.0246
Echinococcus multilocularis dnaJ subfamily B 0.0417 0.5776 0.5776
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.2379 0.5538
Loa Loa (eye worm) hypothetical protein 0.004 0.0293 0.0701
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0213 0.0181
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0309 0.0366
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.2379 0.5688
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0293 0.0293
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0169 0.217 0.4828
Plasmodium vivax hypothetical protein, conserved 0.004 0.0293 0.0737
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0293 0.0293
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0111 0.1326 0.297
Onchocerca volvulus 0.0044 0.0352 0.0562
Echinococcus granulosus flap endonuclease 1 0.0029 0.0144 0.0144
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0044 0.0352 0.0246
Onchocerca volvulus 0.0044 0.0352 0.0562
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0111 0.1329 0.2665
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0048 0.0114
Brugia malayi AMP-binding enzyme family protein 0.0148 0.1874 0.4291
Loa Loa (eye worm) hypothetical protein 0.0111 0.1329 0.3179
Plasmodium vivax acetyl-CoA synthetase, putative 0.0044 0.0352 0.1025
Echinococcus multilocularis zinc finger protein 0.0023 0.0055 0.0055
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0169 0.217 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0103 0.0103
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.465 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.3389 0.8738
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0148 0.1874 0.8423
Trichomonas vaginalis antibiotic synthetase, putative 0.0044 0.0352 0.0515
Brugia malayi TAR-binding protein 0.0065 0.0668 0.1306
Schistosoma mansoni hypothetical protein 0.0074 0.0788 0.0788
Loa Loa (eye worm) hypothetical protein 0.0111 0.1329 0.3179
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0111 0.1326 0.297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0476 0.0476

Activities

Activity type Activity value Assay description Source Reference
APD60 (functional) = 16 Effect of the compound on the transmembrane potential of dog Purkinje fibers paced at a basic cycle length of stimulation of 300 ms,repolarization time to -60 mV ChEMBL. 1542097
APD60 (functional) = 30 Effect of the compound on the transmembrane potential of dog Purkinje fibers paced at a basic cycle length of stimulation of 1000 ms,repolarization time to -60 mV ChEMBL. 1542097
APD60 (functional) = 110 Effect of the compound on the transmembrane potential of dog Purkinje fibers paced at a basic cycle length of stimulation of 1000 ms,repolarization time to -60 mV,at a concentration of 0.3 uM ChEMBL. 1542097
Change (functional) = -24 % Heart rate, after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg ChEMBL. 1542097
Change (functional) = -15 % Heart rate, after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg ChEMBL. 1542097
Change (functional) = -9 % Mean arterial pressure,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg ChEMBL. 1542097
Change (functional) = -8 % Mean arterial pressure,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg ChEMBL. 1542097
Change (functional) = -5 % Ventricular conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg ChEMBL. 1542097
Change (functional) = -2 % Ventricular conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg ChEMBL. 1542097
Change (functional) = 3 % Atrial conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg ChEMBL. 1542097
Change (functional) = 6 % Atrial conduction time,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg ChEMBL. 1542097
Change (functional) = 18 % Ventricular effective refractory period,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg ChEMBL. 1542097
Change (functional) = 19 % Ventricular effective refractory period,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg ChEMBL. 1542097
Change (functional) = 66 % Atrial effective refractory period ,after intravenous administration in open-chest anesthetized dogs at dose of 0.5 mg/kg ChEMBL. 1542097
Change (functional) = 84 % Atrial effective refractory period ,after intravenous administration in open-chest anesthetized dogs at dose of 0.05 mg/kg ChEMBL. 1542097
Vmax (ADMET) = -12 Maximum rate of depolarization of the upstroke of the action potential ChEMBL. 1542097
Vmax (ADMET) = -5 Maximum rate of depolarization of the upstroke of the action potential ChEMBL. 1542097
Vmax (ADMET) = -4 Maximum rate of depolarization of the upstroke of the action potential ChEMBL. 1542097

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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