Detailed information for compound 957323

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 680.952 | Formula: C39H68O9
  • H donors: 3 H acceptors: 6 LogP: 8.04 Rotable bonds: 30
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@@H](CC(OC(=O)C)CCCCC(=O)CCCCC(CCC1=C[C@@H](OC1=O)C)O)O)O
  • InChi: 1S/C39H68O9/c1-4-5-6-7-8-9-10-11-12-13-22-35(43)37-25-26-38(48-37)36(44)28-34(47-30(3)40)21-17-16-19-32(41)18-14-15-20-33(42)24-23-31-27-29(2)46-39(31)45/h27,29,33-38,42-44H,4-26,28H2,1-3H3/t29-,33?,34?,35+,36+,37+,38+/m0/s1
  • InChiKey: OJFDGOAJDAPKNG-QZBJIPNWSA-N  

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
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0146 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.022 0.183
Schistosoma mansoni hypothetical protein 0.004 0.0432 0.1112
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Onchocerca volvulus 0.0028 0.0283 0.5383
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0683 0.1777
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0386
Echinococcus multilocularis protein patched 0.0041 0.0451 0.0439
Loa Loa (eye worm) fibroinase 0.0009 0.0042 0.011
Loa Loa (eye worm) hypothetical protein 0.0096 0.1149 0.3036
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0048 0.0095
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1149 0.1138
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.022 0.1753
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0009 0.0042 0.0293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Brugia malayi cathepsin Z-like cysteine proteinase 0.0009 0.0042 0.011
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0099 0.1179 0.1168
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0127
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Plasmodium falciparum serine repeat antigen 8 0.0009 0.0042 0.2851
Echinococcus multilocularis cysteine protease 0.0009 0.0042 0.0029
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0012 0.0033
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0009 0.0042 0.011
Echinococcus granulosus cpg binding protein 0.003 0.0303 0.077
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Trypanosoma cruzi cysteine proteinase, putative 0.0009 0.0042 0.0078
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0582
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0014 0.0002
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0386
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Onchocerca volvulus 0.0009 0.0042 0.0792
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0042 0.011
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0077 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0077 0.2947
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0009 0.0042 0.2851
Schistosoma mansoni fatty-acid amide hydrolase 0.0099 0.1179 0.3092
Loa Loa (eye worm) hypothetical protein 0.0231 0.2864 0.7566
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0012 0.0033
Schistosoma mansoni patched 1 0.0041 0.0451 0.1162
Echinococcus multilocularis cpg binding protein 0.003 0.0303 0.0291
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0012 0.0033
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0146 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0012 0.0546
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.1149 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0012 0.0077 0.3107
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Entamoeba histolytica cysteine proteinase, putative 0.0009 0.0042 0.0258
Onchocerca volvulus 0.0009 0.0042 0.0792
Echinococcus multilocularis cathepsin L 0.0009 0.0042 0.0029
Plasmodium vivax serine-repeat antigen (SERA) 0.0009 0.0042 0.2851
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0012 0.0077 0.3483
Mycobacterium ulcerans amidase 0.0012 0.0077 0.3107
Plasmodium vivax serine-repeat antigen (SERA) 0.0009 0.0042 0.2851
Onchocerca volvulus 0.0009 0.0042 0.0792
Brugia malayi topoisomerase 0.001 0.0048 0.0127
Onchocerca volvulus 0.0009 0.0042 0.0792
Onchocerca volvulus 0.0009 0.0042 0.0792
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) hypothetical protein 0.0007 0.0012 0.0033
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0048 0.1722
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0048 0.0348
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.022 0.1753
Plasmodium falciparum serine repeat antigen 2 0.0009 0.0042 0.2851
Plasmodium falciparum serine repeat antigen 4 0.0009 0.0042 0.2851
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Mycobacterium ulcerans amidase 0.0012 0.0077 0.3107
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Plasmodium vivax vivapain-3 0.0009 0.0042 0.2851
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0009 0.0042 0.0293
Leishmania major hypothetical protein, conserved 0.0012 0.0077 0.0545
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0012 0.0077 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0348
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0127
Echinococcus granulosus cathepsin L cysteine proteinase 0.0009 0.0042 0.0078
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) ctsf protein 0.0009 0.0042 0.011
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0048 0.0127
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0009 0.0042 0.0078
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0012 0.0546
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0048 0.0095
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0582
Echinococcus multilocularis cathepsin b 0.0304 0.3785 0.3777
Brugia malayi AMP-binding enzyme family protein 0.0023 0.022 0.0582
Onchocerca volvulus 0.0009 0.0042 0.0792
Brugia malayi cathepsin F-like cysteine proteinase 0.0009 0.0042 0.011
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0304 0.3785 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0009 0.0042 0.0258
Plasmodium falciparum serine repeat antigen 1 0.0009 0.0042 0.2851
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0451 0.1191
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0009 0.0042 0.0078
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.022 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Echinococcus granulosus fatty acid amide hydrolase 1 0.0099 0.1179 0.3092
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0009 0.0042 0.2851
Plasmodium falciparum serine repeat antigen 5 0.0009 0.0042 0.2851
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0012 0.0546
Plasmodium vivax vivapain-1 0.0009 0.0042 0.2851
Loa Loa (eye worm) amidase 0.0012 0.0077 0.0203
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus granulosus fatty acid amide hydrolase 1 0.0012 0.0077 0.0171
Loa Loa (eye worm) amidase 0.0012 0.0077 0.0203
Trypanosoma brucei cysteine peptidase C (CPC) 0.01 0.1199 1
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0042 0.011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Echinococcus granulosus cathepsin L 0.0009 0.0042 0.0078
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0048 0.3299
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0283 0.0747
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0042 0.011
Mycobacterium ulcerans amidase 0.0012 0.0077 0.3107
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0012 0.0546
Brugia malayi fibroinase precursor 0.0009 0.0042 0.011
Schistosoma mansoni cathepsin S (C01 family) 0.0009 0.0042 0.0078
Brugia malayi AMP-binding enzyme family protein 0.0023 0.022 0.0582
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus granulosus cathepsin l1 0.0009 0.0042 0.0078
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0009 0.0042 0.011
Onchocerca volvulus 0.0047 0.0525 1
Brugia malayi DKFZp564C0469 protein 0.001 0.0048 0.0127
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.022 0.183
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.2864 0.2855
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0048 0.0348
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0009 0.0042 0.2851
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0014 0.0006
Onchocerca volvulus 0.0023 0.022 0.4197
Onchocerca volvulus Cathepsin L homolog 0.0009 0.0042 0.0792
Giardia lamblia Cathepsin B precursor 0.01 0.1199 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1168 0.3063
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0035 0.0092
Echinococcus granulosus fatty acid amide hydrolase 1 0.0099 0.1179 0.3092
Echinococcus multilocularis cathepsin L 0.0009 0.0042 0.0029
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Entamoeba histolytica cysteine proteinase 1, putative 0.0009 0.0042 0.0258
Echinococcus granulosus cathepsin b 0.0304 0.3785 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0525 0.1359
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.022 1
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0048 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0451 0.1162
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0009 0.0042 0.2851
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.022 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0014 0.0006
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0386
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0009 0.0042 0.0293
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0012 0.0077 0.3483
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0009 0.0042 0.011
Echinococcus granulosus replication factor c subunit 1 0.001 0.0048 0.0095
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Schistosoma mansoni hypothetical protein 0.004 0.0432 0.1112
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0012 0.0077 0.3483
Plasmodium vivax unspecified product 0.0009 0.0042 0.2851
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0048 0.0095
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1674 0.1664
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0009 0.0042 0.0293
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0009 0.0042 0.0078
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0386
Mycobacterium ulcerans amidase 0.0012 0.0077 0.3107
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0304 0.3785 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0009 0.0042 0.2851
Brugia malayi cathepsin L-like cysteine proteinase 0.0009 0.0042 0.011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0048 0.0315
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0451 0.1162
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Plasmodium falciparum serine repeat antigen 7 0.0009 0.0042 0.2851
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0048 0.0095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0048 0.3299
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Onchocerca volvulus 0.0009 0.0042 0.0792
Brugia malayi cathepsin B-like cysteine proteinase 0.0304 0.3785 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0048 0.1722
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0009 0.0042 0.2851
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Schistosoma mansoni fatty-acid amide hydrolase 0.0012 0.0077 0.0171
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0042 0.0293
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.01 0.1199 1
Plasmodium vivax unspecified product 0.0009 0.0042 0.2851
Schistosoma mansoni hypothetical protein 0.004 0.0432 0.1112
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0009 0.0042 0.011
Trypanosoma cruzi amidase, putative 0.0012 0.0077 0.0171
Entamoeba histolytica hypothetical protein 0.001 0.0048 0.0315
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0077 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0451 0.0439
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus granulosus cathepsin b 0.0304 0.3785 1
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0099 0.1179 0.1168
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0348
Plasmodium falciparum cysteine proteinase falcipain 1 0.0009 0.0042 0.2851
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0009 0.0042 0.0078
Brugia malayi AMP-binding enzyme family protein 0.0023 0.022 0.0582
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) hypothetical protein 0.0041 0.0451 0.1191
Trypanosoma cruzi cysteine protease, putative 0.0009 0.0042 0.0078
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0007 0.0012 0.0844
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Brugia malayi cathepsin L precursor 0.0009 0.0042 0.011
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.022 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0146 0.6421
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0007 0.0012 0.0103
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0009 0.0042 0.011
Leishmania major cysteine peptidase A (CPA) 0.0009 0.0042 0.0247
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0304 0.3785 1
Trypanosoma cruzi cysteine peptidase, putative 0.0009 0.0042 0.0078
Schistosoma mansoni cpg binding protein 0.003 0.0303 0.077
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0077 0.0171
Echinococcus granulosus cathepsin l cysteine peptidase 0.0009 0.0042 0.0078
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0009 0.0042 0.0078
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0048 0.0302
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1674 0.4404
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.022 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.022 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0525 0.1387
Echinococcus granulosus cathepsin l1 0.0009 0.0042 0.0078
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0012 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0348
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0012 0.0077 0.0171
Plasmodium vivax acetyl-CoA synthetase, putative 0.0007 0.0012 0.0844
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Mycobacterium ulcerans hypothetical protein 0.0023 0.022 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0009 0.0042 0.2851
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0348
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0012 0.0546
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0014 0.0006
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Entamoeba histolytica hypothetical protein 0.0009 0.0042 0.0258
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0009 0.0042 0.2851
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Plasmodium vivax vivapain-2 0.0009 0.0042 0.2851
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0012 0.0033
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0.0077 0.5274
Loa Loa (eye worm) cathepsin B 0.01 0.1199 0.3169
Toxoplasma gondii propionate-CoA ligase 0.0007 0.0012 0.0103
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Brugia malayi amidase 0.0099 0.1179 0.3114
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0009 0.0042 0.2851
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Entamoeba histolytica cysteine proteinase 2 0.0009 0.0042 0.0258
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Trypanosoma cruzi major cysteine proteinase, putative 0.0009 0.0042 0.0078
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.022 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Trypanosoma cruzi cysteine peptidase, putative 0.0009 0.0042 0.0078
Brugia malayi CXXC zinc finger family protein 0.0028 0.0283 0.0747
Loa Loa (eye worm) oxidoreductase 0.0007 0.0012 0.0033
Schistosoma mansoni amidase 0.0099 0.1179 0.3092
Brugia malayi CHE-14 protein 0.0041 0.0451 0.1191
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0048 0.0095
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Trypanosoma cruzi cysteine proteinase, putative 0.0009 0.0042 0.0078
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0009 0.0042 0.0078
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0451 0.3723
Toxoplasma gondii cathepsin B 0.01 0.1199 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Toxoplasma gondii cathepsin CPL 0.0009 0.0042 0.0347
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0012 0.0077 0.3107
Onchocerca volvulus Cathepsin F homolog 0.0009 0.0042 0.0792
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0348
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Echinococcus granulosus cysteine protease 0.0009 0.0042 0.0078
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0009 0.0042 0.0029
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0007 0.0012 0.0103
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0048 0.0036
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Loa Loa (eye worm) hypothetical protein 0.0304 0.3785 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0012 0.0077 0.3107
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0009 0.0042 0.2851
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0009 0.0042 0.0078
Echinococcus multilocularis cathepsin b 0.0304 0.3785 0.3777
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0009 0.0042 0.2851
Echinococcus multilocularis nibrin 0.001 0.0048 0.0036
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0012 0.0077 0.0065
Trypanosoma cruzi cysteine peptidase, putative 0.0009 0.0042 0.0078
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0602 0.5018
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.022 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.01 0.1199 0.3146
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1149 0.3013
Onchocerca volvulus 0.0007 0.0012 0.0234
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Giardia lamblia Cathepsin B precursor 0.01 0.1199 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0146 0.6617
Entamoeba histolytica cysteine proteinase, putative 0.0009 0.0042 0.0258
Brugia malayi hypothetical protein 0.0231 0.2864 0.7566
Onchocerca volvulus 0.0009 0.0042 0.0792
Onchocerca volvulus 0.0007 0.0012 0.0234
Trypanosoma cruzi major cysteine proteinase, putative 0.0009 0.0042 0.0078
Mycobacterium ulcerans amidase 0.0012 0.0077 0.3107
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Brugia malayi Amidase family protein 0.0012 0.0077 0.0203
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0012 0.0546
Echinococcus multilocularis cathepsin L cysteine protease 0.0009 0.0042 0.0029
Giardia lamblia Cathepsin B precursor 0.01 0.1199 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0036 0.0096
Onchocerca volvulus 0.0007 0.0012 0.0234
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.022 0.183
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0042 0.011
Entamoeba histolytica cysteine proteinase, putative 0.0009 0.0042 0.0258
Onchocerca volvulus 0.001 0.0048 0.0917
Entamoeba histolytica cysteine proteinase, putative 0.0009 0.0042 0.0258
Echinococcus granulosus nibrin 0.001 0.0048 0.0095
Schistosoma mansoni topbp1 0.001 0.0048 0.0095
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0012 0.0047
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0009 0.0042 0.2851
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1149 0.3036
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) hypothetical protein 0.0051 0.0569 0.1503
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0009 0.0042 0.0078
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.022 1
Onchocerca volvulus Cathepsin L homolog 0.0009 0.0042 0.0792
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0012 0.0033
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0127
Schistosoma mansoni hypothetical protein 0.004 0.0432 0.1112
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0048 0.0401
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0048 0.0348
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.022 1
Toxoplasma gondii cathepsin CPC2 0.0009 0.0042 0.0347
Brugia malayi cathepsin Z-like cysteine proteinase 0.0009 0.0042 0.011
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0012 0.0077 0.5274
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0012 0.0033
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Schistosoma mansoni cathepsin C 0.0009 0.0042 0.0078
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Toxoplasma gondii cathepsin CPC1 0.0009 0.0042 0.0347
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0012 0.0546
Brugia malayi hypothetical protein 0.001 0.0048 0.0127
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.2864 0.7558
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0009 0.0042 0.0078
Trypanosoma cruzi amidase, putative 0.0012 0.0077 0.0171
Loa Loa (eye worm) hypothetical protein 0.0007 0.0012 0.0033
Onchocerca volvulus 0.0009 0.0042 0.0792
Brugia malayi Amidase family protein 0.0012 0.0077 0.0203
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.022 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0012 0.0077 0.3483
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0042 0.011
Schistosoma mansoni DNA ligase IV 0.001 0.0048 0.0095
Brugia malayi hypothetical protein 0.001 0.0048 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0012 0.0077 0.0545
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0048 0.0348
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0048 0.0401
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0042 0.0078
Echinococcus granulosus cathepsin L 0.0009 0.0042 0.0078
Echinococcus multilocularis cathepsin L cysteine protease 0.0009 0.0042 0.0029
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0127
Schistosoma mansoni cathepsin F (C01 family) 0.0009 0.0042 0.0078
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0009 0.0042 0.0258
Toxoplasma gondii preprocathepsin c precursor, putative 0.0009 0.0042 0.0347
Schistosoma mansoni topbp1 0.001 0.0048 0.0095
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0042 0.0078
Brugia malayi putative amidase 0.0012 0.0077 0.0203
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Plasmodium falciparum serine repeat antigen 3 0.0009 0.0042 0.2851
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.022 0.1753
Plasmodium vivax vivapain-2 0.0009 0.0042 0.2851
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Schistosoma mansoni cpg binding protein 0.003 0.0303 0.077
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0012 0.0077 0.3483
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0036 0.0024
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.01 0.1199 0.3146
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Loa Loa (eye worm) hypothetical protein 0.0023 0.022 0.0582
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0304 0.3785 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0036 0.0063
Schistosoma mansoni cathepsin B (C01 family) 0.0009 0.0042 0.0078
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0546
Schistosoma mansoni hypothetical protein 0.0047 0.0525 0.1359
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0013 0.0096 0.0221
Echinococcus granulosus expressed conserved protein 0.0091 0.1075 0.2816
Trypanosoma cruzi cysteine peptidase, putative 0.0009 0.0042 0.0078
Entamoeba histolytica cysteine proteinase, putative 0.0009 0.0042 0.0258
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.01 0.1199 1
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0042 0.011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Schistosoma mansoni cathepsin F (C01 family) 0.0009 0.0042 0.0078
Onchocerca volvulus Cathepsin L homolog 0.0009 0.0042 0.0792
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Giardia lamblia Replication factor C, subunit 1 0.001 0.0048 0.0057
Leishmania major cathepsin L-like protease 0.0009 0.0042 0.0247
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0304 0.3785 1
Plasmodium falciparum serine repeat antigen 9 0.0009 0.0042 0.2851
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0009 0.0042 0.2851
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0009 0.0042 0.0247
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0048 0.0348
Entamoeba histolytica cysteine protease, putative 0.0009 0.0042 0.0258
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0042 0.0078
Loa Loa (eye worm) hypothetical protein 0.0017 0.0146 0.0386
Plasmodium falciparum serine repeat antigen 6 0.0009 0.0042 0.2851
Brugia malayi Cathepsin L-like precursor 0.0009 0.0042 0.011
Loa Loa (eye worm) hypothetical protein 0.0099 0.1179 0.3114
Onchocerca volvulus 0.0007 0.0012 0.0234
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0009 0.0042 0.011
Schistosoma mansoni cathepsin F (C01 family) 0.0009 0.0042 0.0078
Loa Loa (eye worm) cysteine protease 0.0009 0.0042 0.011
Echinococcus multilocularis cysteine protease 0.0009 0.0042 0.0029
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0009 0.0042 0.2851
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0009 0.0042 0.0029
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0009 0.0042 0.2851
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Echinococcus granulosus cathepsin L cysteine protease 0.0009 0.0042 0.0078
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0012 0.0033
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0146 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0009 0.0042 0.0078
Trypanosoma cruzi cysteine peptidase, putative 0.0009 0.0042 0.0078
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0009 0.0042 0.0293
Entamoeba histolytica cysteine proteinase, putative 0.0009 0.0042 0.0258
Schistosoma mansoni cpg binding protein 0.0028 0.0283 0.0717
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0009 0.0042 0.2851
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0134 0.6071
Mycobacterium ulcerans peptide amidase, GatA 0.0012 0.0077 0.3107
Echinococcus multilocularis expressed conserved protein 0.0091 0.1075 0.1064
Brugia malayi Cathepsin L-like cysteine proteinase 0.0009 0.0042 0.011
Brugia malayi cathepsin L-like precursor 0.0009 0.0042 0.011
Entamoeba histolytica cysteine proteinase, putative 0.0009 0.0042 0.0258
Trypanosoma cruzi cruzipain precursor, putative 0.0009 0.0042 0.0078
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus multilocularis protein dispatched 1 0.0047 0.0525 0.0513
Loa Loa (eye worm) hypothetical protein 0.0009 0.0042 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0042 0.0293
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0014 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0042 0.0293
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0012 0.0047

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.6 nM Cytotoxicity against human KB cells ChEMBL. 16989521

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 16989521

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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