Detailed information for compound 913663

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2156.59 | Formula: C88H146N36O20S4
  • H donors: 32 H acceptors: 20 LogP: -7.91 Rotable bonds: 63
    Rule of 5 violations (Lipinski): 4
  • SMILES: NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)Cc1ccccc1)CCCNC(=N)N)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCNC(=N)N)C(C)C)CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N
  • InChi: 1S/C88H146N36O20S4/c1-44(2)34-56(116-69(130)51(19-11-29-103-84(92)93)111-64(127)38-108-63(126)37-109-68(129)50(89)18-10-28-102-83(90)91)73(134)119-60-41-146-148-43-62(79(140)123-66(45(3)4)80(141)110-39-65(128)112-55(82(143)144)23-15-33-107-88(100)101)122-81(142)67(46(5)6)124-78(139)61-42-147-145-40-59(120-75(136)58(118-77(60)138)36-48-24-26-49(125)27-25-48)76(137)115-53(21-13-31-105-86(96)97)71(132)113-52(20-12-30-104-85(94)95)70(131)114-54(22-14-32-106-87(98)99)72(133)117-57(74(135)121-61)35-47-16-8-7-9-17-47/h7-9,16-17,24-27,44-46,50-62,66-67,125H,10-15,18-23,28-43,89H2,1-6H3,(H,108,126)(H,109,129)(H,110,141)(H,111,127)(H,112,128)(H,113,132)(H,114,131)(H,115,137)(H,116,130)(H,117,133)(H,118,138)(H,119,134)(H,120,136)(H,121,135)(H,122,142)(H,123,140)(H,124,139)(H,143,144)(H4,90,91,102)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-/m0/s1
  • InChiKey: KAFGYXORACVKTE-UEDJBKKJSA-N  


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 ap endonuclease, putative 0.0019 0.0106 0.0255
Entamoeba histolytica Ran family GTPase 0.0021 0.0136 0.0258
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0185 0.0185
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0185 0.0185
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0029 0.0248 0.0465
Loa Loa (eye worm) hypothetical protein 0.0054 0.0613 0.1462
Schistosoma mansoni transient receptor potential channel 0.0065 0.0761 0.0761
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0185 0.0185
Plasmodium vivax acyl-CoA synthetase, putative 0.0073 0.0886 1
Schistosoma mansoni ran 0.0021 0.0136 0.0136
Brugia malayi AMP-binding enzyme family protein 0.0098 0.1241 0.422
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0029 0.0248 0.5706
Brugia malayi nuclear receptor RXR 0.0013 0.002 0.0067
Plasmodium falciparum importin beta, putative 0.0028 0.0243 0.1759
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0354 0.0996
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0354 0.1939
Toxoplasma gondii ABC1 family protein 0.0036 0.0354 0.1908
Loa Loa (eye worm) hypothetical protein 0.0036 0.0354 0.0845
Loa Loa (eye worm) oxidoreductase 0.0029 0.0248 0.0591
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0029 0.0248 0.0248
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0013 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0017 0.0081 0.0194
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0185 0.0185
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0185 0.0628
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Entamoeba histolytica acyl-coA synthetase, putative 0.0098 0.1241 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0354 0.1205
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0248 0.0465
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0104 0.133 0.9562
Schistosoma mansoni hypothetical protein 0.0017 0.0081 0.0081
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0105 0.0105
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0248 0.0843
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0185 0.0185
Mycobacterium tuberculosis Conserved protein 0.0036 0.0354 0.0814
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0354 0.0814
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0047
Leishmania major GTP-binding protein, putative 0.0021 0.0136 0.0258
Loa Loa (eye worm) hypothetical protein 0.0036 0.0354 0.0845
Schistosoma mansoni acetyl-CoA synthetase 0.0029 0.0248 0.0248
Brugia malayi AMP-binding enzyme family protein 0.0098 0.1241 0.422
Schistosoma mansoni transient receptor potential channel 4 0.0098 0.1235 0.1235
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0248 0.5706
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0185 0.0628
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0105 0.0105
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.0761 0.0761
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0185 0.044
Schistosoma mansoni ap endonuclease 0.0019 0.0106 0.0106
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0354 0.0814
Schistosoma mansoni ap endonuclease 0.0019 0.0106 0.0106
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0166 0.0434
Loa Loa (eye worm) hypothetical protein 0.0037 0.0367 0.0875
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0248 0.0465
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.2661 0.9047
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0029 0.0248 0.1106
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0123 0.1593 0.1593
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0248 0.0591
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0106 0.0106
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0248 0.0591
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0185 0.0628
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0296 0.0296
Trichomonas vaginalis ran, putative 0.0021 0.0136 0.0342
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0185 0.0628
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0354 0.0845
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0354 0.0996
Mycobacterium ulcerans acyl-CoA synthetase 0.0098 0.1241 0.887
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0185 0.0185
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0248 0.0843
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.002 0.0067
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0106 0.0106
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0185 0.0185
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0029 0.0248 0.0465
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0029 0.0248 0.0465
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.4195 1
Onchocerca volvulus 0.0033 0.0304 0.0903
Mycobacterium ulcerans acyl-CoA synthetase 0.0098 0.1241 0.887
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2941 0.7011
Echinococcus multilocularis microtubule associated protein 2 0.0694 0.979 0.979
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.1189 0.1189
Brugia malayi Importin beta-1 subunit 0.0028 0.0243 0.0828
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0354 0.1939
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0098 0.1241 0.2959
Schistosoma mansoni hypothetical protein 0.0037 0.0367 0.0367
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0185 0.0628
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0296 0.0296
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.3154 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0185 0.0185
Mycobacterium ulcerans hypothetical protein 0.0098 0.1241 0.887
Entamoeba histolytica acyl-CoA synthetase, putative 0.0098 0.1241 1
Schistosoma mansoni hypothetical protein 0.0304 0.4195 0.4195
Brugia malayi nuclear receptor NHR-88 0.0024 0.0185 0.0628
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0185 0.0628
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0013 0.002 0.002
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0029 0.0248 0.0465
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0243 0.5526
Schistosoma mansoni hypothetical protein 0.0017 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0017 0.0081 0.0081
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0248 0.0465
Echinococcus granulosus transient receptor potential gamma protein 0.0098 0.1235 0.1235
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0098 0.1241 0.3724
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0073 0.0886 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0057 0.0656 0.1564
Onchocerca volvulus 0.0029 0.0248 0.0736
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0185 0.0628
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0354 1
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0185 0.0185
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0185 0.044
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0029 0.0248 0.1106
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0185 0.0185
Onchocerca volvulus 0.0029 0.0248 0.0736
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0136 0.0225
Mycobacterium leprae Probable lipase LipE 0.0036 0.0354 0.1072
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0354 0.1072
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0105 0.0251
Echinococcus granulosus dnaJ subfamily B 0.0412 0.5736 0.5736
Schistosoma mansoni cpg binding protein 0.0061 0.0703 0.0703
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0081 0.0081
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.0761 0.0761
Brugia malayi ecdysteroid receptor 0.0024 0.0185 0.0628
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0185 0.0185
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0354 0.0814
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0029 0.0248 0.0843
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0613 0.2085
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0166 0.0434
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.0356 0.0356
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0613 0.1462
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0013 0.002 0.0047
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0248 0.5706
Loa Loa (eye worm) hypothetical protein 0.0036 0.0354 0.0845
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0262 0.0262
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0098 0.1241 0.887
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0098 0.1241 0.887
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0185 0.044
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.0886 0.6092
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0354 0.0814
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0029 0.0248 0.1816
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.0761 0.0761
Schistosoma mansoni hypothetical protein 0.0709 1 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0029 0.0248 0.0465
Loa Loa (eye worm) hypothetical protein 0.0098 0.1241 0.2959
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0081 0.0081
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0081 0.0276
Loa Loa (eye worm) hypothetical protein 0.0073 0.0886 0.2111
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0106 0.0362
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0185 0.0185
Brugia malayi Pre-SET motif family protein 0.0217 0.2941 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0081 0.0081
Plasmodium vivax importin-beta 2, putative 0.0028 0.0243 0.1759
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Trichomonas vaginalis esterase, putative 0.0036 0.0354 0.0996
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0055 0.0055
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0098 0.1241 0.3724
Loa Loa (eye worm) hypothetical protein 0.0098 0.1241 0.2959
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0248 0.1247
Toxoplasma gondii propionate-CoA ligase 0.0029 0.0248 0.1088
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0136 0.0376
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0185 0.0628
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0185 0.0628
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0354 0.0354
Brugia malayi RNA binding protein 0.0197 0.2661 0.9047
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0248 0.5706
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0102 0.0347
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0047
Schistosoma mansoni ran 0.0021 0.0136 0.0136
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0185 0.0185
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0185 0.0185
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0166 0.2413
Brugia malayi RNA, U transporter 1 0.0081 0.0996 0.3388
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0098 0.1241 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0354 0.0354
Echinococcus granulosus snurportin 1 0.0304 0.4195 0.4195
Loa Loa (eye worm) hypothetical protein 0.0029 0.0248 0.0591
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0367 0.1248
Mycobacterium tuberculosis Conserved protein 0.0036 0.0354 0.0814
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0185 0.044
Echinococcus multilocularis tar DNA binding protein 0.0197 0.2661 0.2661
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0108 0.1386 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0354 0.0845
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0029 0.0248 0.0248
Onchocerca volvulus 0.0024 0.0185 0.0548
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2661 0.2661
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.002 0.0067
Mycobacterium ulcerans acetyl-CoA synthetase 0.0029 0.0248 0.1106
Brugia malayi nuclear hormone receptor 0.0024 0.0185 0.0628
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0029 0.0248 0.0465
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0073 0.0886 0.2111
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0013 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0017 0.0081 0.0081
Echinococcus multilocularis transient receptor potential gamma protein 0.0098 0.1235 0.1235
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0185 0.044
Brugia malayi Transient-receptor-potential like protein 0.0036 0.0356 0.121
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0185 0.0185
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0296 0.0296
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0185 0.0185
Brugia malayi beta-lactamase family protein 0.0036 0.0354 0.1205
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0136 0.0376
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0185 0.0628
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0248 0.5706
Schistosoma mansoni importin beta-1 0.0028 0.0243 0.0243
Echinococcus granulosus tar DNA binding protein 0.0197 0.2661 0.2661
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0185 0.0185
Loa Loa (eye worm) RNA binding protein 0.0197 0.2661 0.6343
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0354 0.0996
Onchocerca volvulus 0.0036 0.0354 0.1052
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0354 0.0814
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0243 0.5526
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0185 0.0185
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2661 0.2661
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0055 0.0055
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Schistosoma mansoni hypothetical protein 0.0709 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0354 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0185 0.0628
Loa Loa (eye worm) hypothetical protein 0.0028 0.0243 0.058
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0136 0.0136
Echinococcus granulosus importin subunit beta 1 0.0028 0.0243 0.0243
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0185 0.0185
Mycobacterium ulcerans hypothetical protein 0.0036 0.0354 0.1939
Schistosoma mansoni coup transcription factor 0.0024 0.0185 0.0185
Mycobacterium ulcerans lipase LipD 0.0036 0.0354 0.1939
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0248 0.1106
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0354 0.0814
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0185 0.0185
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0029 0.0248 0.1106
Loa Loa (eye worm) hypothetical protein 0.0098 0.1235 0.2945
Brugia malayi beta-lactamase 0.0036 0.0354 0.1205
Loa Loa (eye worm) hypothetical protein 0.0029 0.0248 0.0591
Loa Loa (eye worm) hypothetical protein 0.0073 0.0886 0.2111
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0248 0.0465
Echinococcus granulosus microtubule associated protein 2 0.0694 0.979 0.979
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0185 0.044
Onchocerca volvulus 0.0029 0.0248 0.0736
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0185 0.0185
Onchocerca volvulus 0.0246 0.3368 1
Echinococcus multilocularis snurportin 1 0.0304 0.4195 0.4195
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.2661 0.6343
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0029 0.0248 0.1106
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0073 0.0886 0.2558
Loa Loa (eye worm) hypothetical protein 0.0033 0.0309 0.0737
Brugia malayi TAR-binding protein 0.0197 0.2661 0.9047
Plasmodium vivax acetyl-CoA synthetase, putative 0.0029 0.0248 0.1816
Onchocerca volvulus 0.0036 0.0354 0.1052
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.0185 0.0548
Loa Loa (eye worm) beta-lactamase 0.0036 0.0354 0.0845
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0296 0.0296
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0185 0.0185
Entamoeba histolytica hypothetical protein 0.0023 0.0166 0.0527
Echinococcus multilocularis cpg binding protein 0.0061 0.0703 0.0703
Loa Loa (eye worm) hypothetical protein 0.0036 0.0356 0.0848
Schistosoma mansoni cpg binding protein 0.0057 0.0656 0.0656
Mycobacterium tuberculosis Conserved protein 0.0036 0.0354 0.0814
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0354 0.0996
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0185 0.0185
Loa Loa (eye worm) TAR-binding protein 0.0197 0.2661 0.6343
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0106 0.0255
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0828 0.237
Leishmania major 4-coumarate:coa ligase-like protein 0.0098 0.1241 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0828 0.237
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0185 0.0185
Brugia malayi steroid hormone receptor 0.0024 0.0185 0.0628
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.0356 0.0356
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0106 0.0254
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0073 0.0886 0.2111
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0136 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0243 0.0243
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0248 0.0843
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0354 0.0814
Toxoplasma gondii histone lysine methyltransferase SET1 0.011 0.1407 1
Leishmania major hypothetical protein, conserved 0.0036 0.0354 0.2186
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0104 0.133 0.9562
Echinococcus multilocularis geminin 0.0709 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0354 0.0996
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0296 0.1458
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0136 0.118
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0081 0.0276
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0296 0.0296
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0029 0.0248 0.1106
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.1189 0.1189
Schistosoma mansoni cpg binding protein 0.0061 0.0703 0.0703
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0248 0.0678
Loa Loa (eye worm) hypothetical protein 0.0032 0.0296 0.0705
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0185 0.044
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0248 0.0678
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0185 0.0185
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.0761 0.0761
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0013 0.002 0.002
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0029 0.0248 0.0465
Schistosoma mansoni microtubule-associated protein tau 0.0694 0.979 0.979
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0248 0.5706
Onchocerca volvulus 0.0098 0.1241 0.3686
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0055 0.0055
Entamoeba histolytica acyl-CoA synthetase, putative 0.0098 0.1241 1
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0185 0.0628
Brugia malayi CXXC zinc finger family protein 0.0057 0.0656 0.2231
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0828 0.237
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.0185 0.0548
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0098 0.1241 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0166 0.0527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0185 0.044
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2661 0.2661
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0047
Loa Loa (eye worm) hypothetical protein 0.0036 0.0354 0.0845
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0081 0.0194
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0136 0.118
Onchocerca volvulus 0.0032 0.0296 0.0879
Leishmania major 4-coumarate:coa ligase-like protein 0.0098 0.1241 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0166 0.0434
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0185 0.0628
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0047
Plasmodium vivax SET domain protein, putative 0.0032 0.0296 0.2432
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0185 0.0628
Plasmodium falciparum acyl-CoA synthetase 0.0073 0.0886 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0354 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.002 0.0047
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0248 0.1106
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0185 0.0628
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0029 0.0248 0.1106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0613 0.2085
Schistosoma mansoni transient receptor potential channel 0.0065 0.0761 0.0761
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0136 0.0136
Onchocerca volvulus 0.0036 0.0354 0.1052
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0029 0.0248 0.1088
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0104 0.133 0.4015
Loa Loa (eye worm) hypothetical protein 0.0061 0.0715 0.1703
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0081 0.0081
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0185 0.0185
Mycobacterium ulcerans acyl-CoA synthetase 0.0098 0.1241 0.887
Brugia malayi beta-lactamase family protein 0.0036 0.0354 0.1205
Loa Loa (eye worm) hypothetical protein 0.0024 0.0185 0.044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0296 0.0296
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0354 0.0354
Schistosoma mansoni transient receptor potential channel 0.0098 0.1235 0.1235
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0029 0.0248 0.1088
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0136 0.0323
Brugia malayi hypothetical protein 0.0013 0.002 0.0067
Schistosoma mansoni hypothetical protein 0.0412 0.5736 0.5736
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2661 0.2661
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0098 0.1241 0.887
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0185 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0185 0.0628
Echinococcus granulosus cpg binding protein 0.0061 0.0703 0.0703
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0248 0.1247
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0296 0.0296
Onchocerca volvulus 0.0013 0.0025 0.0074
Mycobacterium ulcerans beta-lactamase 0.0036 0.0354 0.1939
Onchocerca volvulus 0.0057 0.0656 0.1948
Trichomonas vaginalis set domain proteins, putative 0.0246 0.3368 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0029 0.0248 0.1106
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0243 0.1054
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0055 0.0055
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0354 0.3183
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0055 0.0055
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0248 0.0843
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0098 0.1241 0.887
Loa Loa (eye worm) hypothetical protein 0.0036 0.0354 0.0845
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0106 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.0185 0.0548
Echinococcus granulosus GPCR family 2 0.0017 0.0081 0.0081
Brugia malayi AMP-binding enzyme family protein 0.0098 0.1241 0.422
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0029 0.0248 0.0843
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0106 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0185 0.0185
Schistosoma mansoni tar DNA-binding protein 0.0197 0.2661 0.2661
Brugia malayi Pre-SET motif family protein 0.0032 0.0296 0.1006
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0136 0.0461
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.5736 0.5736
Loa Loa (eye worm) hypothetical protein 0.0073 0.0886 0.2111
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0029 0.0248 0.1247
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0248 0.1247
Leishmania major 4-coumarate:coa ligase-like protein 0.0098 0.1241 1
Brugia malayi hypothetical protein 0.0013 0.002 0.0067
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0354 0.0354
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0191 0.0276
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0136 0.118
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0828 0.237

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) < 1 % Bactericidal activity against Escherichia coli ML35 assessed as survival at 0.2 ug/ml relative to control ChEMBL. 17620373
MEC (functional) = 2.5 ug ml-1 Bactericidal activity against Escherichia coli ML35 after 48 to 72 hrs by radial diffusion assay ChEMBL. 17620373

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

No literature references available for this target.

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