Detailed information for compound 286661

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 713.692 | Formula: C30H32Cl2N3O7S3+
  • H donors: 4 H acceptors: 7 LogP: 4.58 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CCCc1cc(SCC2=C(C(=O)O)N3[C@@H](SC2)[C@@H](C3=O)NC(=O)CSc2cc(Cl)ccc2Cl)cc([n+]1CC[C@H](C(=O)O)O)C
  • InChi: 1S/C30H31Cl2N3O7S3/c1-3-4-5-19-12-20(10-16(2)34(19)9-8-22(36)29(39)40)43-13-17-14-45-28-25(27(38)35(28)26(17)30(41)42)33-24(37)15-44-23-11-18(31)6-7-21(23)32/h3,6-7,10-12,22,25,28,36H,1,4-5,8-9,13-15H2,2H3,(H2-,33,37,39,40,41,42)/p+1/t22-,25-,28-/m1/s1
  • InChiKey: OGNHQNQGIQUPGO-WSOLHVCVSA-O  


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
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0043 0.0131
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0344 0.0344
Echinococcus granulosus neurogenic locus notch protein 4 0.0135 0.1467 0.2746
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0135 0.1467 0.3537
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Trypanosoma brucei ISWI complex protein 0.0016 0.0005 0.0215
Loa Loa (eye worm) hypothetical protein 0.0086 0.0862 0.2051
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0175 0.1951 0.4706
Echinococcus multilocularis neurogenic locus notch protein 0.0135 0.1467 0.1467
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0266 0.1748
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0052 0.0454 0.2991
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0344 0.0644
Schistosoma mansoni hypothetical protein 0.0165 0.1833 0.4422
Onchocerca volvulus 0.0051 0.0435 0.1034
Echinococcus multilocularis dna polymerase eta 0.0019 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0073 0.0702 0.1669
Loa Loa (eye worm) hypothetical protein 0.0086 0.0862 0.2051
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0052 0.0454 0.2991
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0608 0.0608
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0086 0.0862 0.1614
Schistosoma mansoni hypothetical protein 0.0042 0.0325 0.0784
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.0454 0.2991
Echinococcus multilocularis Mastin 0.0086 0.0862 0.0862
Echinococcus granulosus dna polymerase eta 0.0019 0.0043 0.0081
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0043 0.0131
Entamoeba histolytica hypothetical protein 0.0079 0.0786 0.2383
Loa Loa (eye worm) hypothetical protein 0.0015 0.0001 0.0004
Brugia malayi Bromodomain containing protein 0.0039 0.0294 0.07
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0015 0.0001 0.0004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0786 0.0786
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0043 0.1709
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0053 0.01
Echinococcus granulosus neuropeptide receptor A26 0.0451 0.534 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0254 0.0769
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0006 0.0012
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0207 0.1361
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0254 0.1568
Schistosoma mansoni hypothetical protein 0.0016 0.0005 0.0013
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0043 0.1709
Brugia malayi EGF-like domain containing protein 0.0135 0.1467 0.3489
Schistosoma mansoni hypothetical protein 0.0135 0.1467 0.3537
Loa Loa (eye worm) inositol-1 0.0036 0.0254 0.0603
Entamoeba histolytica hypothetical protein 0.0079 0.0786 0.2383
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0354 0.4146 0.9865
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0052 0.0454 0.2991
Echinococcus multilocularis slit 2 protein 0.0135 0.1468 0.1468
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0043 0.0103
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0001 0.0004
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0043 0.0277
Toxoplasma gondii calcium binding egf domain-containing protein 0.0354 0.4146 1
Schistosoma mansoni notch 0.0135 0.1467 0.3537
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0147 0.1618 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0175 0.1951 0.5917
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0043 0.0043
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0344 0.0818
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0043 0.0277
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0268
Schistosoma mansoni inositol monophosphatase 0.0036 0.0254 0.0612
Loa Loa (eye worm) hypothetical protein 0.0354 0.4146 0.9865
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0039 0.0292 1
Schistosoma mansoni hypothetical protein 0.0086 0.0862 0.2079
Loa Loa (eye worm) hypothetical protein 0.0015 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0608 0.1138
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0074 0.0177
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0043 0.0268
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0043 0.0268
Brugia malayi EGF-like domain containing protein 0.0135 0.1467 0.3489
Echinococcus multilocularis protein jagged 1 0.0135 0.1467 0.1467
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0044 0.0107
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0254 0.0769
Giardia lamblia DINP protein human, muc B family 0.0019 0.0043 0.0131
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0028 0.0052
Loa Loa (eye worm) histone methyltransferase 0.002 0.0053 0.0127
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0268
Echinococcus multilocularis enteropeptidase 0.0086 0.0862 0.0862
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1515 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0292 0.0695
Entamoeba histolytica acyl-coA synthetase, putative 0.0052 0.0454 0.1378
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1364 0.329
Brugia malayi Cadherin domain containing protein 0.0135 0.1467 0.3489
Brugia malayi EGF-like domain containing protein 0.0135 0.1467 0.3489
Brugia malayi Calcium binding EGF domain containing protein 0.0135 0.1467 0.3489
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.105 0.1966
Trypanosoma brucei unspecified product 0.0019 0.0043 0.1709
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0044 0.0044
Loa Loa (eye worm) trypsin family protein 0.0086 0.0862 0.2051
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.009 0.0919 0.2216
Loa Loa (eye worm) hypothetical protein 0.0053 0.0463 0.1103
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0015 0.0001 0.0004
Leishmania major DNA polymerase kappa, putative 0.0019 0.0043 0.0268
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0001 0.0009
Trypanosoma cruzi ISWI complex protein 0.0016 0.0005 0.0034
Plasmodium vivax acetyl-CoA synthetase, putative 0.0015 0.0001 0.0009
Loa Loa (eye worm) hypothetical protein 0.0039 0.0292 0.0695
Loa Loa (eye worm) TAR-binding protein 0.0127 0.1364 0.3246
Brugia malayi PHD-finger family protein 0.0029 0.017 0.0406
Echinococcus multilocularis fibrillin 1 0.0354 0.4146 0.4146
Echinococcus multilocularis fibropellin Ia 0.0135 0.1467 0.1467
Onchocerca volvulus 0.0135 0.1467 0.3489
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0862 0.2079
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0001 0.0009
Echinococcus multilocularis protein jagged 2 0.0135 0.1467 0.1467
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Echinococcus granulosus geminin 0.0165 0.1833 0.3433
Brugia malayi AMP-binding enzyme family protein 0.0052 0.0454 0.1081
Echinococcus granulosus neural cadherin 0.0135 0.1467 0.2746
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0266 0.1748
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.105 0.105
Schistosoma mansoni hypothetical protein 0.0147 0.1618 0.3901
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0015 0.0001 0.0004
Echinococcus granulosus expressed conserved protein 0.0095 0.0975 0.1826
Brugia malayi Calcium binding EGF domain containing protein 0.0135 0.1467 0.3489
Schistosoma mansoni hypothetical protein 0.0135 0.1467 0.3537
Loa Loa (eye worm) hypothetical protein 0.0039 0.0292 0.0695
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Plasmodium falciparum acyl-CoA synthetase 0.0039 0.0292 0.1806
Onchocerca volvulus 0.0135 0.1467 0.3489
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0015 0.0001 0.0058
Schistosoma mansoni cpg binding protein 0.0069 0.0658 0.1587
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0001 0.0004
Echinococcus multilocularis protein dispatched 1 0.0049 0.0419 0.0419
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.1364 0.3246
Brugia malayi notch-like transmembrane receptor 0.0135 0.1467 0.3489
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0001 0.0004
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0039 0.0292 0.1921
Onchocerca volvulus 0.0135 0.1467 0.3489
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0052 0.0454 0.2991
Echinococcus multilocularis zinc finger protein 0.0024 0.0103 0.0103
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0354 0.4146 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0015 0.0001 0.0009
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Echinococcus multilocularis fat cadherin tumor suppressor 0.0135 0.1467 0.1467
Schistosoma mansoni zinc finger protein 0.0024 0.0103 0.025
Onchocerca volvulus 0.0086 0.0862 0.2051
Loa Loa (eye worm) hypothetical protein 0.0052 0.0454 0.1081
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0862 0.2079
Echinococcus multilocularis transmembrane protease serine 3 0.0086 0.0862 0.0862
Onchocerca volvulus 0.0015 0.0001 0.0004
Echinococcus granulosus laminin 0.0354 0.4146 0.7765
Schistosoma mansoni zinc finger protein 0.0016 0.0005 0.0013
Schistosoma mansoni bromodomain containing protein 0.0069 0.0652 0.1574
Onchocerca volvulus Putative cubilin 0.0135 0.1467 0.3489
Echinococcus multilocularis neuropeptide receptor A26 0.0451 0.534 0.534
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0015 0.0001 0.0009
Onchocerca volvulus Arrow homolog 0.0358 0.4203 1
Leishmania major hypothetical protein, conserved 0.0016 0.0005 0.0034
Loa Loa (eye worm) hypothetical protein 0.0039 0.0295 0.0703
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0344 0.0644
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.105 0.3184
Brugia malayi EGF-like domain containing protein 0.0135 0.1467 0.3489
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Schistosoma mansoni notch 0.0135 0.1467 0.3537
Schistosoma mansoni hypothetical protein 0.0165 0.1833 0.4422
Echinococcus multilocularis tumor protein p63 0.0347 0.4058 0.4058
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.0454 0.2991
Loa Loa (eye worm) hypothetical protein 0.0039 0.0292 0.0695
Schistosoma mansoni acetyl-CoA synthetase 0.0015 0.0001 0.0004
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0043 0.0105
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0135 0.1467 0.3537
Brugia malayi Calcium binding EGF domain containing protein 0.0354 0.4146 0.9865
Loa Loa (eye worm) hypothetical protein 0.0086 0.0862 0.2051
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0354 0.4146 0.9865
Loa Loa (eye worm) TK/ROR protein kinase 0.0147 0.1618 0.3849
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0039 0.0292 0.1921
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0786 0.1472
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0207 0.1361
Onchocerca volvulus 0.0086 0.0862 0.2051
Onchocerca volvulus 0.0086 0.0862 0.2051
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0001 0.0004
Schistosoma mansoni DNA polymerase eta 0.0019 0.0043 0.0105
Loa Loa (eye worm) CXXC zinc finger family protein 0.0063 0.059 0.1403
Toxoplasma gondii propionate-CoA ligase 0.0015 0.0001 0.0004
Giardia lamblia High cysteine protein 0.0135 0.1467 0.4447
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0266 0.1748
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.3298 1
Echinococcus granulosus tissue type plasminogen activator 0.0147 0.1618 0.3029
Brugia malayi TAR-binding protein 0.0127 0.1364 0.3246
Brugia malayi CHE-14 protein 0.0043 0.0344 0.0818
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0086 0.0862 0.2051
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0141 0.0339
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0001 0.0009
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0043 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0086 0.0862 0.0862
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.0773
Echinococcus granulosus tumor protein p63 0.0347 0.4058 0.7599
Brugia malayi EGF-like domain containing protein 0.0135 0.1467 0.3489
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Brugia malayi Bromodomain containing protein 0.0081 0.08 0.1903
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0254 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0044 0.0107
Brugia malayi Trypsin family protein 0.0086 0.0862 0.2051
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0141 0.0264
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0043 0.1709
Onchocerca volvulus 0.0052 0.0454 0.1081
Loa Loa (eye worm) oxidoreductase 0.0015 0.0001 0.0004
Onchocerca volvulus Slit protein homolog 0.0135 0.1468 0.3492
Onchocerca volvulus 0.0086 0.0862 0.2051
Echinococcus granulosus fibropellin Ia 0.0135 0.1467 0.2746
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0268
Brugia malayi Cadherin domain containing protein 0.0135 0.1467 0.3489
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0015 0.0001 0.0003
Schistosoma mansoni hypothetical protein 0.0042 0.0325 0.0784
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0006 0.0015
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0254 0.0254
Echinococcus granulosus dna polymerase kappa 0.0019 0.0043 0.0081
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1515 1
Echinococcus multilocularis protein patched 0.0043 0.0344 0.0344
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Echinococcus multilocularis notch 0.0135 0.1467 0.1467
Schistosoma mansoni cpg binding protein 0.0069 0.0658 0.1587
Loa Loa (eye worm) hypothetical protein 0.0019 0.0044 0.0106
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Echinococcus multilocularis expressed conserved protein 0.0095 0.0975 0.0975
Trypanosoma cruzi ISWI complex protein 0.0016 0.0005 0.0034
Loa Loa (eye worm) hypothetical protein 0.0354 0.4146 0.9865
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0862 0.0862
Brugia malayi hypothetical protein 0.0079 0.0786 0.187
Schistosoma mansoni notch 0.0135 0.1467 0.3537
Echinococcus granulosus slit 2 protein 0.0135 0.1468 0.2749
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0043 0.0131
Loa Loa (eye worm) RNA binding protein 0.0127 0.1364 0.3246
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0015 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0147 0.1618 0.3849
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0035 0.0084
Loa Loa (eye worm) Notch2 0.0135 0.1467 0.3489
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.3298 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0265 0.0265
Schistosoma mansoni notch 0.0135 0.1467 0.3537
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0015 0.0001 0.0004
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0254 0.1665
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0037 0.0266 0.1748
Brugia malayi Kringle domain containing protein 0.0147 0.1618 0.3849
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Schistosoma mansoni septate junction protein 0.0135 0.1467 0.3537
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0015 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0039 0.0292 0.0695
Leishmania major acetyl-CoA synthetase, putative 0.0015 0.0001 0.0009
Schistosoma mansoni hypothetical protein 0.0021 0.0072 0.0175
Loa Loa (eye worm) hypothetical protein 0.0358 0.4203 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.0454 0.2808
Brugia malayi GCC2 and GCC3 family protein 0.0135 0.1467 0.3489
Loa Loa (eye worm) hypothetical protein 0.0047 0.0393 0.0936
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0254 0.0769
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0086 0.0862 0.1614
Toxoplasma gondii calcium binding egf domain-containing protein 0.0354 0.4146 1
Schistosoma mansoni hypothetical protein 0.0079 0.0786 0.1896
Echinococcus multilocularis neurogenic locus protein delta 0.0135 0.1467 0.1467
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Echinococcus multilocularis Niemann Pick C1 protein 0.0144 0.1581 0.1581
Brugia malayi EGF-like domain containing protein 0.0135 0.1468 0.3492
Echinococcus multilocularis tissue type plasminogen activator 0.0147 0.1618 0.1618
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0135 0.1467 0.3489
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0358 0.4203 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1364 0.329
Echinococcus multilocularis neurogenic locus protein delta 0.0135 0.1467 0.1467
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0358 0.4203 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Loa Loa (eye worm) hypothetical protein 0.0019 0.0043 0.0103
Schistosoma mansoni hypothetical protein 0.0042 0.0325 0.0784
Brugia malayi Inositol-1 0.0036 0.0254 0.0603
Loa Loa (eye worm) hypothetical protein 0.0043 0.0344 0.0818
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0052 0.0454 0.2991
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0135 0.1467 0.3489
Echinococcus granulosus transmembrane protease serine 3 0.0086 0.0862 0.1614
Brugia malayi Protein kinase domain containing protein 0.0147 0.1618 0.3849
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0254 0.0612
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0043 0.0268
Echinococcus multilocularis tar DNA binding protein 0.0127 0.1364 0.1364
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0254 0.1568
Echinococcus granulosus Mastin 0.0086 0.0862 0.1614
Loa Loa (eye worm) hypothetical protein 0.0086 0.0862 0.2051
Toxoplasma gondii histone lysine methyltransferase SET1 0.0123 0.1314 0.3169
Brugia malayi Fibulin-1 precursor 0.0354 0.4146 0.9865
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Brugia malayi Muscle positioning protein 4 0.0135 0.1467 0.3489
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Entamoeba histolytica hypothetical protein 0.0079 0.0786 0.2383
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.0454 0.2808
Leishmania major DNA polymerase eta, putative 0.0019 0.0043 0.0268
Onchocerca volvulus 0.0135 0.1467 0.3489
Leishmania major hypothetical protein, conserved 0.0147 0.1618 1
Schistosoma mansoni egf-like domain protein 0.0354 0.4146 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Mycobacterium ulcerans hypothetical protein 0.0086 0.0862 0.5685
Loa Loa (eye worm) hypothetical protein 0.0052 0.0454 0.1081
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0043 0.0103
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0052 0.0454 0.2991
Loa Loa (eye worm) hypothetical protein 0.0358 0.4203 1
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0001 0.0058
Schistosoma mansoni cell polarity protein 0.0135 0.1467 0.3537
Brugia malayi CXXC zinc finger family protein 0.0063 0.059 0.1403
Brugia malayi Trypsin family protein 0.0086 0.0862 0.2051
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0254 1
Onchocerca volvulus 0.0147 0.1618 0.3849
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1364 0.329
Echinococcus granulosus expressed conserved protein 0.0159 0.1764 0.3304
Brugia malayi AMP-binding enzyme family protein 0.0015 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Echinococcus granulosus notch 0.0135 0.1467 0.2746
Echinococcus multilocularis glycoprotein Antigen 5 0.0086 0.0862 0.0862
Echinococcus granulosus cpg binding protein 0.0069 0.0658 0.1232
Echinococcus multilocularis expressed conserved protein 0.0159 0.1764 0.1764
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1364 0.329
Echinococcus granulosus protein jagged 2 0.0135 0.1467 0.2746
Echinococcus multilocularis laminin 0.0354 0.4146 0.4146
Echinococcus granulosus tar DNA binding protein 0.0127 0.1364 0.2555
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0001 0.0009
Brugia malayi AMP-binding enzyme family protein 0.0052 0.0454 0.1081
Loa Loa (eye worm) hypothetical protein 0.0354 0.4146 0.9865
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Schistosoma mansoni hypothetical protein 0.0135 0.1467 0.3537
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.1364 0.3246
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0043 0.1709
Toxoplasma gondii EGF family domain-containing protein 0.0135 0.1467 0.3537
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0265 0.0496
Schistosoma mansoni notch 0.0135 0.1467 0.3537
Brugia malayi hypothetical protein 0.0086 0.0862 0.2051
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0862 0.2079
Brugia malayi Trypsin family protein 0.0086 0.0862 0.2051
Schistosoma mansoni patched 1 0.0043 0.0344 0.083
Mycobacterium ulcerans acyl-CoA synthetase 0.0052 0.0454 0.2991
Echinococcus multilocularis neurogenic locus notch protein 0.0135 0.1467 0.1467
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0015 0.0001 0.0009
Schistosoma mansoni laminin gamma-3 chain 0.0135 0.1467 0.3537
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0043 0.0277
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0001 0.0004
Onchocerca volvulus 0.0086 0.0862 0.2051
Echinococcus granulosus neurogenic locus notch protein 0.0135 0.1467 0.2746
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0435 0.1048
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0043 0.0105
Echinococcus multilocularis protein jagged 1 0.0135 0.1467 0.1467
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0006 0.0012
Loa Loa (eye worm) hypothetical protein 0.0086 0.0862 0.2051
Brugia malayi EGF-like domain containing protein 0.0135 0.1467 0.3489
Loa Loa (eye worm) notch protein 0.0135 0.1467 0.3489
Echinococcus granulosus Tolloid protein 1 0.0354 0.4146 0.7765
Trypanosoma cruzi hypothetical protein, conserved 0.0147 0.1618 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0015 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.3298 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0039 0.0292 0.1806
Schistosoma mansoni inositol monophosphatase 0.0036 0.0254 0.0612
Loa Loa (eye worm) hypothetical protein 0.0086 0.0862 0.2051
Brugia malayi Trypsin-like protease protein 5 0.0086 0.0862 0.2051
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.1069 0.2579
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1364 0.329
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0135 0.1468 0.3492
Echinococcus multilocularis neuropeptide s receptor 0.0451 0.534 0.534
Echinococcus granulosus protein jagged 1 0.0135 0.1467 0.2746
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0254 0.0769
Echinococcus granulosus neuropeptide s receptor 0.0451 0.534 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0435 0.1034
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0254 0.1568
Echinococcus multilocularis cpg binding protein 0.0069 0.0658 0.0658
Echinococcus multilocularis neural cadherin 0.0135 0.1467 0.1467
Trichomonas vaginalis antibiotic synthetase, putative 0.0015 0.0001 0.0004
Entamoeba histolytica acyl-CoA synthetase, putative 0.0052 0.0454 0.1378
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0028 0.0066
Onchocerca volvulus 0.0135 0.1467 0.3489
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0044 0.0083
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0134 0.146 0.3522
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Entamoeba histolytica hypothetical protein 0.0079 0.0786 0.2383
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0052 0.0454 0.2991
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0862 0.2079
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0862 0.2079
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0052 0.0454 0.2991
Onchocerca volvulus 0.0015 0.0001 0.0004
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0053 0.0053
Brugia malayi Calcium binding EGF domain containing protein 0.0135 0.1467 0.3489
Brugia malayi RNA binding protein 0.0127 0.1364 0.3246
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0254 0.0475
Schistosoma mansoni hypothetical protein 0.0135 0.1467 0.3537
Echinococcus multilocularis Tolloid protein 1 0.0354 0.4146 0.4146
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0147 0.1618 1
Onchocerca volvulus 0.0015 0.0001 0.0004
Echinococcus multilocularis neurogenic locus notch protein 4 0.0135 0.1467 0.1467
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1515 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0043 0.0081
Echinococcus granulosus neurogenic locus protein delta 0.0135 0.1467 0.2746
Echinococcus multilocularis sentrin specific protease 7 0.0175 0.1951 0.1951
Loa Loa (eye worm) hypothetical protein 0.0086 0.0862 0.2051
Onchocerca volvulus 0.0063 0.059 0.1403
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0043 0.0277
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Onchocerca volvulus Neurogenic locus notch homolog 0.0135 0.1467 0.3489
Entamoeba histolytica acyl-CoA synthetase, putative 0.0052 0.0454 0.1378
Schistosoma mansoni hypothetical protein 0.0086 0.0862 0.2079
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0028 0.0066
Loa Loa (eye worm) hypothetical protein 0.0101 0.105 0.2498
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.105 0.2498
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.3298 1
Schistosoma mansoni hypothetical protein 0.0042 0.0325 0.0784
Loa Loa (eye worm) hypothetical protein 0.0052 0.0454 0.1081
Onchocerca volvulus 0.0015 0.0001 0.0004
Echinococcus granulosus zinc finger protein 0.0024 0.0103 0.0194
Mycobacterium ulcerans hypothetical protein 0.0052 0.0454 0.2991
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.0862 0.2079
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0344 0.1043
Echinococcus granulosus neurogenic locus notch protein 0.0135 0.1467 0.2746
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0786 0.1896
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0141 0.0141
Brugia malayi Trypsin family protein 0.0086 0.0862 0.2051
Echinococcus granulosus protein jagged 1 0.0135 0.1467 0.2746
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0086 0.0862 0.2079
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0072 0.0172
Schistosoma mansoni hypothetical protein 0.0135 0.1467 0.3537
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0043 0.1709
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.0862 0.2079
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0135 0.1467 0.3489
Brugia malayi Delta serrate ligand family protein 0.0135 0.1467 0.3489
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0043 0.0103
Leishmania major 4-coumarate:coa ligase-like protein 0.0052 0.0454 0.2808
Schistosoma mansoni hypothetical protein 0.0135 0.1467 0.3537
Echinococcus granulosus protein jagged 2 0.0135 0.1467 0.2746
Onchocerca volvulus 0.0086 0.0862 0.2051
Brugia malayi AMP-binding enzyme family protein 0.0052 0.0454 0.1081
Echinococcus granulosus Niemann Pick C1 protein 0.0144 0.1581 0.296
Echinococcus multilocularis geminin 0.0165 0.1833 0.1833
Schistosoma mansoni notch 0.0135 0.1467 0.3537
Echinococcus granulosus delta-like protein 1 0.0135 0.1467 0.2746
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.3298 1
Echinococcus granulosus glycoprotein Antigen 5 0.0086 0.0862 0.1614
Schistosoma mansoni cpg binding protein 0.0063 0.059 0.1422
Toxoplasma gondii kringle domain-containing protein 0.0147 0.1618 0.3901
Echinococcus granulosus sentrin specific protease 7 0.0175 0.1951 0.3654
Echinococcus granulosus enteropeptidase 0.0086 0.0862 0.1614
Schistosoma mansoni slit 0.0135 0.1468 0.354

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 4 U ml-1 Minimum inhibitory concentration against methicillin-resistant Staphylococcus aureus (MRSA) A27223 ChEMBL. 11277523
MIC (functional) = 8 U ml-1 Minimum inhibitory concentration against methicillin-resistant Staphylococcus aureus (MRSA) A27223 in the presence of 50% calf serum. ChEMBL. 11277523
PD50 (functional) = 19.2 mg kg-1 Dose required for acute toxic activity against methicillin-resistant Staphylococcus aureus (MRSA) A27223 in mouse following i.v. administration. ChEMBL. 11277523

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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