Detailed information for compound 202217

Basic information

Technical information
  • TDR Targets ID: 202217
  • Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-ami no-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl ]amino]hexanoyl]pyrrolidine-2-carbonyl]amino] -4-methylpentanoyl]amino]-3-(1H-indol-3-yl)pr opanoyl]amino]-5-(diaminomethylideneamino)pen tanoic acid
  • MW: 860.056 | Formula: C44H65N11O7
  • H donors: 10 H acceptors: 7 LogP: -0.26 Rotable bonds: 30
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC
  • InChi: 1S/C44H65N11O7/c1-27(2)23-35(39(57)53-36(25-29-26-50-31-16-8-7-15-30(29)31)40(58)52-33(43(61)62)18-11-21-49-44(46)47)54-41(59)37-19-12-22-55(37)42(60)32(17-9-10-20-45)51-38(56)34(48-3)24-28-13-5-4-6-14-28/h4-8,13-16,26-27,32-37,48,50H,9-12,17-25,45H2,1-3H3,(H,51,56)(H,52,58)(H,53,57)(H,54,59)(H,61,62)(H4,46,47,49)/t32-,33-,34-,35-,36-,37-/m0/s1
  • InChiKey: ADMNULUULXZIQM-DUGSHLAESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-(methylamino)-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-guanidinopentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-azanyl-2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-(methylamino)-3-phenyl-propanoyl]amino]hexanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-valeric acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-methylamino-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-methylamino-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-methylamino-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-guanidinopentanoic acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-methylamino-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-valeric acid
  • (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-methylamino-3-phenyl-propanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

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
Entamoeba histolytica serine/threonine protein kinase, putative 0.0086 0.0465 1
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0216 0.7353
Entamoeba histolytica pyruvate kinase, putative 0.0044 0.0155 0.3325
Trichomonas vaginalis CAMK family protein kinase 0.0043 0.0146 0.0928
Schistosoma mansoni smad1 5 8 and 0.0025 0.0015 0.001
Leishmania major ecotin, putative 0.0023 0.0006 0.0128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0159 0.0154
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.0465 0.3037
Mycobacterium tuberculosis Probable esterase LipO 0.0023 0.0006 0.0202
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0093 0.0578
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0023 0.0006 0.0202
Mycobacterium ulcerans hypothetical protein 0.0023 0.0006 0.0202
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0015 0.001
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0046 0.0041
Onchocerca volvulus 0.0092 0.051 0.3336
Giardia lamblia Kinase, PLK 0.0086 0.0465 1
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0023 0.0006 0.0202
Brugia malayi Pyruvate kinase, M2 isozyme 0.0063 0.0294 0.1158
Brugia malayi MH2 domain containing protein 0.0025 0.0015 0.0036
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.1313 0.1308
Leishmania major pyruvate kinase 0.0063 0.0294 0.6319
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0063 0.0294 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0086 0.0465 1
Echinococcus multilocularis pyruvate kinase 0.0063 0.0294 0.0289
Echinococcus granulosus smad 0.0025 0.0015 0.001
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0023 0.0006 0.0202
Leishmania major DNA polymerase eta, putative 0.0041 0.0133 0.2859
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.1515 0.151
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.0465 0.3037
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0216 0.7353
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1003 0.0998
Echinococcus multilocularis geminin 0.0166 0.105 0.1046
Loa Loa (eye worm) hypothetical protein 0.0052 0.0216 0.021
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.0133 0.2859
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0465 0.046
Echinococcus multilocularis hormone sensitive lipase 0.1388 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0046 0.1565
Schistosoma mansoni hypothetical protein 0.0166 0.105 0.1046
Loa Loa (eye worm) pyruvate kinase 0.0063 0.0294 0.0288
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0093 0.0578
Mycobacterium tuberculosis Possible esterase LipW 0.0023 0.0006 0.0202
Echinococcus multilocularis pyruvate kinase 0.0032 0.007 0.0065
Schistosoma mansoni microtubule-associated protein tau 0.0629 0.4445 0.4443
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0086 0.0465 0.046
Schistosoma mansoni hypothetical protein 0.0047 0.0177 0.0172
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0015 0.001
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0055 0.024 0.5151
Loa Loa (eye worm) hypothetical protein 0.1388 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.0465 0.3037
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0055 0.024 0.0234
Brugia malayi Pyruvate kinase, muscle isozyme 0.0063 0.0294 0.1158
Loa Loa (eye worm) hypothetical protein 0.0029 0.0046 0.004
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0159 0.0153
Loa Loa (eye worm) hypothetical protein 0.0081 0.0425 0.0419
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0023 0.0006 0.0202
Leishmania major hypothetical protein, conserved 0.0052 0.0216 0.4646
Mycobacterium ulcerans carboxylesterase LipQ 0.0023 0.0006 0.0202
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0093 0.0578
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0023 0.0006 0.0202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0159 0.0154
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0425 0.042
Schistosoma mansoni survival motor neuron protein 0.0047 0.0177 0.0172
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0159 0.0154
Loa Loa (eye worm) hypothetical protein 0.0041 0.0133 0.0127
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0093 0.0578
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.0133 0.2767
Echinococcus granulosus pyruvate kinase 0.0063 0.0294 0.0289
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0093 0.0578
Schistosoma mansoni kinase 0.0044 0.0155 0.0149
Toxoplasma gondii pyruvate kinase PyKII 0.0032 0.007 0.2379
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0006 0.0001
Mycobacterium ulcerans lipase LipU 0.0023 0.0006 0.0202
Mycobacterium tuberculosis Probable lipase LipH 0.0023 0.0006 0.0202
Brugia malayi hypothetical protein 0.0229 0.1515 0.6067
Schistosoma mansoni smad1 5 8 and 0.0025 0.0015 0.001
Echinococcus granulosus geminin 0.0166 0.105 0.1046
Loa Loa (eye worm) pyruvate kinase-PB 0.0044 0.0155 0.0149
Trypanosoma brucei polo-like protein kinase 0.0086 0.0465 1
Onchocerca volvulus 0.0029 0.0046 0.0265
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0159 0.0154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0159 0.0154
Loa Loa (eye worm) MH2 domain-containing protein 0.0363 0.2493 0.2489
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.024 0.0234
Trichomonas vaginalis pyruvate kinase, putative 0.0063 0.0294 0.1904
Loa Loa (eye worm) hypothetical protein 0.0063 0.0294 0.0288
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0216 0.7353
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0093 0.0088
Chlamydia trachomatis pyruvate kinase 0.0063 0.0294 1
Brugia malayi hypothetical protein 0.0034 0.0081 0.03
Trypanosoma cruzi DNA polymerase eta, putative 0.0029 0.0044 0.083
Echinococcus multilocularis dna polymerase eta 0.0041 0.0133 0.0128
Mycobacterium ulcerans esterase LipW 0.0023 0.0006 0.0202
Toxoplasma gondii aldehyde dehydrogenase 0.0055 0.024 0.8152
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0023 0.0006 0.0202
Schistosoma mansoni pyruvate kinase 0.0063 0.0294 0.0289
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0093 0.2007
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0425 0.042
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.0465 0.3037
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0216 0.4577
Brugia malayi MH2 domain containing protein 0.0363 0.2493 1
Brugia malayi Smad1 0.0025 0.0015 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0046 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0046 0.0041
Mycobacterium ulcerans membrane-bound esterase LipM 0.0023 0.0006 0.0202
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0055 0.024 0.8152
Echinococcus multilocularis microtubule associated protein 2 0.0629 0.4445 0.4443
Schistosoma mansoni hypothetical protein 0.0166 0.105 0.1046
Onchocerca volvulus 0.0047 0.0177 0.1129
Trypanosoma brucei glucosidase, putative 0.0035 0.0093 0.2007
Onchocerca volvulus 0.0081 0.0425 0.2771
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0023 0.0006 1
Leishmania major DNA polymerase eta, putative 0.0029 0.0044 0.0947
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0046 0.0041
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0216 0.4577
Loa Loa (eye worm) hypothetical protein 0.012 0.0713 0.0708
Brugia malayi MH1 domain containing protein 0.0025 0.0015 0.0036
Echinococcus multilocularis expressed protein 0.0362 0.2487 0.2483
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0425 0.042
Trypanosoma cruzi pyruvate kinase 2, putative 0.0063 0.0294 0.6271
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0046 0.0041
Echinococcus granulosus pyruvate kinase 0.0063 0.0294 0.0289
Onchocerca volvulus 0.023 0.1518 1
Schistosoma mansoni aldehyde dehydrogenase 0.0055 0.024 0.0234
Onchocerca volvulus Pyruvate kinase homolog 0.0063 0.0294 0.1904
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0023 0.0006 0.0202
Mycobacterium ulcerans lipase LipU 0.0023 0.0006 0.0202
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0023 0.0006 0.0128
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.0465 0.3037
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.024 0.8152
Brugia malayi hypothetical protein 0.0052 0.0216 0.0845
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0159 0.0154
Onchocerca volvulus Pyruvate kinase homolog 0.0063 0.0294 0.1904
Toxoplasma gondii pyruvate kinase PyK1 0.0063 0.0294 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1003 0.401
Loa Loa (eye worm) hypothetical protein 0.012 0.0713 0.0708
Loa Loa (eye worm) pyruvate kinase 0.0063 0.0294 0.0288
Echinococcus multilocularis smad 0.0025 0.0015 0.001
Brugia malayi hypothetical protein 0.012 0.0713 0.2844
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0093 0.2007
Brugia malayi Pre-SET motif family protein 0.0029 0.0046 0.0161
Schistosoma mansoni smad 0.0025 0.0015 0.001
Brugia malayi serine/threonine-protein kinase plk-2 0.0086 0.0465 0.1846
Echinococcus granulosus pyruvate kinase 0.0032 0.007 0.0065
Echinococcus granulosus expressed protein 0.0362 0.2487 0.2483
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0093 0.0351
Mycobacterium tuberculosis Probable esterase LipM 0.0023 0.0006 0.0202
Loa Loa (eye worm) hypothetical protein 0.0044 0.0155 0.0149
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0093 0.1903
Schistosoma mansoni pyruvate kinase 0.0063 0.0294 0.0289
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1388 1 1
Giardia lamblia Pyruvate kinase 0.0063 0.0294 0.5668
Plasmodium vivax SET domain protein, putative 0.0029 0.0046 0.1565
Loa Loa (eye worm) Smad1 0.0025 0.0015 0.0009
Trichomonas vaginalis CAMK family protein kinase 0.0043 0.0146 0.0928
Echinococcus multilocularis pyruvate kinase 0.005 0.0197 0.0192
Mycobacterium tuberculosis Probable esterase LipC 0.0023 0.0006 0.0202
Echinococcus granulosus microtubule associated protein 2 0.0629 0.4445 0.4443
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.0465 1
Echinococcus multilocularis pyruvate kinase 0.0032 0.007 0.0065
Onchocerca volvulus Huntingtin homolog 0.012 0.0713 0.4679
Echinococcus granulosus pyruvate kinase 0.0032 0.007 0.0065
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0093 0.0578
Onchocerca volvulus Pyruvate kinase homolog 0.0063 0.0294 0.1904
Plasmodium falciparum pyruvate kinase 0.0063 0.0294 1
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0216 0.4646
Echinococcus multilocularis pyruvate kinase 0.0032 0.007 0.0065
Leishmania major hypothetical protein, conserved 0.0023 0.0006 0.0128
Plasmodium vivax pyruvate kinase, putative 0.0063 0.0294 1
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1003 0.0999
Echinococcus granulosus pyruvate kinase 0.0032 0.007 0.0065
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.024 0.8152
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0093 0.3176
Trypanosoma cruzi pyruvate kinase 2, putative 0.0063 0.0294 0.6271
Schistosoma mansoni pyruvate kinase 0.0032 0.007 0.0065
Brugia malayi Pre-SET motif family protein 0.0202 0.1313 0.5256
Mycobacterium leprae Possible lipase LipU 0.0023 0.0006 0.0202
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.0063 0.0294 0.1904
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0029 0.0044 0.1498
Echinococcus multilocularis pyruvate kinase 0.0063 0.0294 0.0289
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0015 0.0009
Mycobacterium ulcerans esterase LipO 0.0023 0.0006 0.0202
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0023 0.0006 0.0202
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0015 0.001
Trichomonas vaginalis set domain proteins, putative 0.023 0.1518 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.0465 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0159 0.0615
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.0465 0.3037
Echinococcus granulosus Smad4 0.0025 0.0015 0.001
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0046 0.0041
Mycobacterium leprae Probable pyruvate kinase PykA 0.0063 0.0294 1
Leishmania major pyruvate kinase 0.0063 0.0294 0.6319
Trypanosoma brucei pyruvate kinase 1 0.0063 0.0294 0.6319
Brugia malayi MH1 domain containing protein 0.0025 0.0015 0.0036
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0425 0.1684
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0015 0.001
Schistosoma mansoni smad1 5 8 and 0.0025 0.0015 0.001
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1003 0.0999
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.1515 0.151
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.0133 0.0511
Schistosoma mansoni alpha glucosidase 0.0035 0.0093 0.0088
Trypanosoma brucei pyruvate kinase 1, putative 0.0063 0.0294 0.6319
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0159 0.0154
Echinococcus multilocularis Smad4 0.0025 0.0015 0.001
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0093 0.0087
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0038 0.0033
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0093 0.2007
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0015 0.0009
Schistosoma mansoni alpha-glucosidase 0.0137 0.0841 0.0836
Mycobacterium ulcerans lipase/esterase LipN 0.0023 0.0006 0.0202
Loa Loa (eye worm) transcription factor SMAD2 0.0363 0.2493 0.2489
Loa Loa (eye worm) hypothetical protein 0.0229 0.1515 0.151
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0093 0.0578
Onchocerca volvulus Serine\/threonine kinase homolog 0.0086 0.0465 0.3037
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1388 1 1
Plasmodium falciparum pyruvate kinase 2 0.0032 0.007 0.2379
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.0465 0.3037
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0177 0.0686
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0093 0.1903
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0093 0.0578
Schistosoma mansoni Smad4 0.0025 0.0015 0.001
Mycobacterium ulcerans lipase LipH 0.0023 0.0006 0.0202
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0216 0.7353
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0086 0.0465 0.046
Plasmodium vivax pyruvate kinase 2, putative 0.0032 0.007 0.2379
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0055 0.024 0.0234
Onchocerca volvulus Huntingtin homolog 0.012 0.0713 0.4679
Brugia malayi MH2 domain containing protein 0.0025 0.0015 0.0036
Mycobacterium ulcerans esterase/lipase 0.0023 0.0006 0.0202
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1388 1 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0046 0.0041
Mycobacterium ulcerans lipase LipI 0.0023 0.0006 0.0202
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0093 0.0578
Loa Loa (eye worm) pyruvate kinase 0.0063 0.0294 0.0288
Schistosoma mansoni alpha-glucosidase 0.0137 0.0841 0.0836
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0023 0.0006 0.0202
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1003 0.0999
Mycobacterium ulcerans pyruvate kinase 0.0063 0.0294 1
Schistosoma mansoni DNA polymerase eta 0.0041 0.0133 0.0128
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0015 0.001
Mycobacterium ulcerans esterase LipC 0.0023 0.0006 0.0202
Echinococcus granulosus dna polymerase eta 0.0041 0.0133 0.0128
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0086 0.0465 0.0459
Mycobacterium tuberculosis Possible lipase LipU 0.0023 0.0006 0.0202
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0093 0.0088
Mycobacterium ulcerans aldehyde dehydrogenase 0.0055 0.024 0.8152

Activities

Activity type Activity value Assay description Source Reference
Agonistic activity (functional) Agonist activity of the compound at dose range 0.1 nM to 1 mM in human PMNs; No agonistic activity ChEMBL. 9719594
Agonistic activity (functional) 0 Agonist activity of the compound at dose range 0.1 nM to 1 mM in human PMNs; No agonistic activity ChEMBL. 9719594
IC50 (binding) = 144 uM 50% reduction in binding of [125I]-C5a to human polymorphonuclear cells (PMNs) ChEMBL. 9719594
IC50 (binding) = 144 uM 50% reduction in binding of [125I]-C5a to human polymorphonuclear cells (PMNs) ChEMBL. 9719594
IC50 (binding) > 1000 uM 50% reduction in myeloperoxidase secretion from human PMNs mediated by 100 nM C5a ChEMBL. 9719594
IC50 (binding) > 1000 uM 50% reduction in myeloperoxidase secretion from human PMNs mediated by 100 nM C5a ChEMBL. 9719594

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.