Detailed information for compound 403605

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1431.04 | Formula: C70H92ClN17O14
  • H donors: 16 H acceptors: 15 LogP: 1.88 Rotable bonds: 49
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)N)C)CCCN=C(N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](Cc1ccc(cc1)Cl)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C
  • InChi: 1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51-,52-,53+,54-,55-,56+,57-,58+/m0/s1
  • InChiKey: SBNPWPIBESPSIF-OPBLSEOISA-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
Leishmania major hypothetical protein, conserved 0.002 0.0023 0.003
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0087 0.0205
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0036 0.0069
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0036 0.0069
Loa Loa (eye worm) hypothetical protein 0.0055 0.0214 0.0205
Schistosoma mansoni hypothetical protein 0.0038 0.012 0.0294
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.0454 0.0445
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0224 0.0573
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.0476 0.1248
Trypanosoma cruzi PAB1-binding protein , putative 0.002 0.0023 0.0005
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0214 0.0205
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0004
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0112 0.0525 0.1328
Echinococcus granulosus snurportin 1 0.0706 0.3745 1
Brugia malayi nuclear hormone receptor 0.0022 0.0036 0.0026
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0036 0.0069
Brugia malayi serine/threonine-protein kinase plk-2 0.0112 0.0525 0.0516
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0181 0.0457
Schistosoma mansoni protein kinase 0.0018 0.0011 0.0004
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0036 0.0069
Brugia malayi hypothetical protein 0.002 0.0023 0.0013
Echinococcus multilocularis Smad4 0.0018 0.0012 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.0965 0.2447
Brugia malayi ecdysteroid receptor 0.0022 0.0036 0.0026
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.0525 0.5386
Loa Loa (eye worm) hypothetical protein 0.0057 0.0224 0.0214
Brugia malayi MH1 domain containing protein 0.0018 0.0012 0.0002
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0036 0.0069
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0193 0.0965 0.143
Entamoeba histolytica hypothetical protein 0.0041 0.0139 0.2492
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0026
Schistosoma mansoni hypothetical protein 0.0308 0.1586 0.4218
Brugia malayi mbt repeat family protein 0.005 0.0187 0.0177
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0036 0.0069
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0036 0.0069
Trypanosoma cruzi hypothetical protein, conserved 0.0193 0.0965 0.2447
Loa Loa (eye worm) hypothetical protein 0.1859 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.002 0.0023 0.0005
Mycobacterium tuberculosis Probable hydrolase 0.0193 0.0965 0.143
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1236 0.6621 1
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0012 0.0005
Entamoeba histolytica hypothetical protein 0.0054 0.0206 0.3795
Mycobacterium ulcerans beta-lactamase 0.0193 0.0965 1
Echinococcus multilocularis peregrin 0.0036 0.0109 0.0264
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.0525 0.5386
Echinococcus granulosus Smad4 0.0018 0.0012 0.0005
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0018 0.0011 0.0001
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0036 0.0069
Brugia malayi protein kinase C3,putative 0.0018 0.0012 0.0002
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.073 0.3878 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.012 0.011
Schistosoma mansoni kinase 0.0058 0.0232 0.0596
Trichomonas vaginalis esterase, putative 0.0193 0.0965 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0012 0.0002
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0187 0.0473
Loa Loa (eye worm) Smad1 0.0018 0.0012 0.0002
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.0525 0.5386
Trichomonas vaginalis importin beta-1, putative 0.0054 0.0206 0.2044
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0225 0.2236
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0036 0.0026
Trichomonas vaginalis ran, putative 0.0049 0.0179 0.1762
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0187 0.0473
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0361 0.0939
Loa Loa (eye worm) MH2 domain-containing protein 0.0261 0.1332 0.1323
Loa Loa (eye worm) hypothetical protein 0.0193 0.0965 0.0956
Loa Loa (eye worm) hypothetical protein 0.0018 0.0011 0.0001
Mycobacterium tuberculosis Conserved protein 0.0193 0.0965 0.143
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.012 0.011
Entamoeba histolytica Ran family GTPase 0.0049 0.0179 0.3272
Schistosoma mansoni smad 0.0018 0.0012 0.0005
Brugia malayi mbt repeat family protein 0.005 0.0187 0.0177
Brugia malayi hypothetical protein 0.0041 0.0139 0.013
Plasmodium falciparum importin beta, putative 0.0066 0.0274 1
Onchocerca volvulus 0.005 0.0187 0.1625
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0036 0.0026
Trypanosoma brucei PAB1-binding protein , putative 0.002 0.0023 0.0059
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0026
Loa Loa (eye worm) transcription factor SMAD2 0.0261 0.1332 0.1323
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0036 0.0069
Mycobacterium tuberculosis Probable lipase LipE 0.0193 0.0965 0.143
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0036 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.0525 0.5386
Echinococcus granulosus protein kinase c epsilon type 0.0018 0.0012 0.0005
Leishmania major importin beta-1 subunit, putative 0.0054 0.0206 0.0504
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0087 0.0205
Plasmodium vivax hypothetical protein, conserved 0.0193 0.0965 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0036 0.0069
Schistosoma mansoni hypothetical protein 0.0375 0.195 0.5193
Toxoplasma gondii exonuclease III APE 0.0019 0.0021 0.01
Loa Loa (eye worm) MBCTL1 0.0057 0.0224 0.0214
Onchocerca volvulus 0.0193 0.0965 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.0476 0.1248
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0181 0.1776
Echinococcus multilocularis importin subunit beta 1 0.0066 0.0274 0.0707
Giardia lamblia Kinase, PLK 0.0112 0.0525 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0049 0.0179 0.6394
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0193 0.0965 0.143
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0036 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0036 0.0026
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0036 0.0069
Trypanosoma brucei importin beta-1 subunit, putative 0.0066 0.0274 0.0707
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0018 0.0011 0.0001
Trypanosoma brucei importin beta-1 subunit, putative 0.0066 0.0274 0.0707
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0036 0.0026
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0036 0.0026
Onchocerca volvulus Alhambra homolog 0.0032 0.0087 0.0548
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.0525 0.5386
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0021 0.0363
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.0818 0.2163
Echinococcus granulosus importin subunit beta 1 0.0066 0.0274 0.0707
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.0525 0.1379
Brugia malayi RNA, U transporter 1 0.0188 0.0936 0.0927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0454 0.1189
Loa Loa (eye worm) hypothetical protein 0.005 0.0187 0.0177
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0049 0.0179 0.017
Schistosoma mansoni coup transcription factor 0.0022 0.0036 0.0069
Brugia malayi beta-lactamase family protein 0.0193 0.0965 0.0956
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0021 0.0025
Echinococcus multilocularis mitogen activated protein kinase 11 0.0534 0.2813 0.7503
Schistosoma mansoni hypothetical protein 0.0375 0.195 0.5193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0036 0.0026
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0036 0.0069
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0021 0.0011
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0123 0.0301
Brugia malayi PHD-finger family protein 0.0032 0.0087 0.0077
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0193 0.0965 0.2557
Mycobacterium tuberculosis Probable lipase LipD 0.0193 0.0965 0.143
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0021 0.0054
Echinococcus granulosus Protein kinase C brain isozyme 0.0018 0.0012 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0036 0.0026
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0193 0.0965 1
Mycobacterium tuberculosis Conserved protein 0.0193 0.0965 0.143
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0454 0.1189
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0036 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0036 0.0026
Schistosoma mansoni smad1 5 8 and 0.0018 0.0012 0.0005
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0011 0.0004
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0154 0.0385
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0036 0.0026
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0018 0.0011 0.0004
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0018 0.0012 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0454 0.1189
Plasmodium vivax ataxin-2 like protein, putative 0.002 0.0023 0.012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0454 0.1189
Mycobacterium ulcerans esterase/lipase LipP 0.0193 0.0965 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0214 0.0205
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0187 0.0473
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0049 0.0179 0.0411
Echinococcus multilocularis protein kinase c iota type 0.0018 0.0012 0.0005
Brugia malayi protein kinase C II. 0.0018 0.0012 0.0002
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0454 0.1189
Onchocerca volvulus 0.0193 0.0965 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0534 0.2813 0.7503
Onchocerca volvulus Serine\/threonine kinase homolog 0.0112 0.0525 0.5266
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0036 0.0069
Echinococcus multilocularis raf serine:threonine protein kinase 0.0422 0.2205 0.5876
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0018 0.0012 0.0002
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0224 0.0573
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0026
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0123 0.0301
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0193 0.0965 0.0956
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0112 0.0525 0.0516
Echinococcus multilocularis protein kinase c epsilon type 0.0018 0.0012 0.0005
Mycobacterium leprae Probable lipase LipE 0.0193 0.0965 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0112 0.0525 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0181 0.1776
Echinococcus multilocularis smad 0.0018 0.0012 0.0005
Entamoeba histolytica hypothetical protein 0.0041 0.0139 0.2492
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0181 0.1776
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0269 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0036 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0036 0.0026
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0021 0.003
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0012 0.0005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.0454 0.0445
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0026
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0224 0.0573
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0187 0.0177
Echinococcus multilocularis beta LACTamase domain containing family member 0.0193 0.0965 0.2557
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0201 0.1006 0.2665
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0087 0.0788
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0026
Schistosoma mansoni ran 0.0049 0.0179 0.0454
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0049 0.0179 0.0454
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0112 0.0525 0.1379
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0187 0.0473
Echinococcus multilocularis mitogen activated protein kinase 11 0.0534 0.2813 0.7503
Brugia malayi Smad1 0.0018 0.0012 0.0002
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0013
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0087 0.0077
Echinococcus multilocularis snurportin 1 0.0706 0.3745 1
Schistosoma mansoni serine/threonine protein kinase 0.0422 0.2205 0.5876
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.0525 0.5386
Echinococcus granulosus FTZ F1 alpha 0.0444 0.2323 0.6194
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0036 0.0026
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0224 0.0573
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0181 0.1776
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0123 0.0301
Trichomonas vaginalis penicillin-binding protein, putative 0.0193 0.0965 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0036 0.0026
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0012 0.0005
Schistosoma mansoni atypical protein kinase C 0.0018 0.0012 0.0005
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0004
Loa Loa (eye worm) hypothetical protein 0.0193 0.0965 0.0956
Mycobacterium ulcerans hypothetical protein 0.0193 0.0965 1
Brugia malayi Protein kinase c protein 2 0.0018 0.0012 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0112 0.0521 0.0512
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0012 0.0005
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0026
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0036 0.0026
Echinococcus granulosus raf serine:threonine protein kinase 0.0422 0.2205 0.5876
Echinococcus granulosus beta LACTamase domain containing family member 0.0193 0.0965 0.2557
Schistosoma mansoni protein kinase C mu 0.0018 0.0012 0.0005
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0012 0.0005
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0036 0.0069
Loa Loa (eye worm) beta-lactamase 0.0193 0.0965 0.0956
Brugia malayi Raf kinase 0.0407 0.2125 0.2117
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0181 0.1776
Brugia malayi nuclear receptor NHR-88 0.0022 0.0036 0.0026
Schistosoma mansoni hypothetical protein 0.0032 0.0087 0.0205
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0036 0.0026
Leishmania major GTP-binding protein, putative 0.0049 0.0179 0.0435
Plasmodium vivax importin-beta 2, putative 0.0066 0.0274 0.2755
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0049 0.0179 0.1762
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.073 0.3878 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.0965 0.0956
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0159 0.2731
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0193 0.0965 0.143
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0004
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0224 0.0214
Trichomonas vaginalis D-aminoacylase, putative 0.0193 0.0965 1
Echinococcus multilocularis FTZ F1 alpha 0.0112 0.0521 0.1369
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0049 0.0179 0.0411
Trichomonas vaginalis penicillin-binding protein, putative 0.0193 0.0965 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0018 0.0012 0.0002
Schistosoma mansoni Smad4 0.0018 0.0012 0.0005
Brugia malayi Importin beta-1 subunit 0.0066 0.0274 0.0264
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0021 0.5
Schistosoma mansoni hypothetical protein 0.0706 0.3745 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0036 0.0026
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0193 0.0965 0.0956
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0112 0.0521 0.1369
Loa Loa (eye worm) hypothetical protein 0.0054 0.0209 0.0199
Brugia malayi steroid hormone receptor 0.0022 0.0036 0.0026
Leishmania major hypothetical protein, conserved 0.0193 0.0965 0.2466
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0112 0.0521 0.0512
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0454 0.1189
Echinococcus multilocularis mitogen activated protein kinase 14 0.0534 0.2813 0.7503
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0049 0.0179 0.0463
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.003
Loa Loa (eye worm) hypothetical protein 0.0112 0.0521 0.0512
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0036 0.0069
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0054 0.0206 0.2044
Trichomonas vaginalis CAMK family protein kinase 0.0057 0.0225 0.2236
Plasmodium falciparum ataxin-2 like protein, putative 0.002 0.0023 0.0435
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0018 0.0011 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0036 0.0026
Mycobacterium leprae conserved hypothetical protein 0.0193 0.0965 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0193 0.0965 1
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.1859 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0012 0.0005
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0193 0.0965 0.2557
Brugia malayi MH1 domain containing protein 0.0018 0.0012 0.0002
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.0818 0.0809
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0018 0.0012 0.0005
Mycobacterium tuberculosis Conserved protein 0.0193 0.0965 0.143
Toxoplasma gondii ABC1 family protein 0.0193 0.0965 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0021 0.003
Echinococcus multilocularis mitogen activated protein kinase 14 0.0534 0.2813 0.7503
Echinococcus granulosus geminin 0.0375 0.195 0.5193
Brugia malayi P38 map kinase family protein 2 0.0534 0.2813 0.2806
Loa Loa (eye worm) hypothetical protein 0.0032 0.0087 0.0077
Trypanosoma cruzi importin beta-1 subunit, putative 0.0054 0.0206 0.048
Loa Loa (eye worm) hypothetical protein 0.0193 0.0965 0.0956
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.073 0.3878 1
Echinococcus multilocularis geminin 0.0375 0.195 0.5193
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0018 0.0011 0.0029
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0159 0.2867
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0224 0.0573
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0036 0.0069
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0026
Entamoeba histolytica hypothetical protein 0.0041 0.0139 0.2492
Brugia malayi MH2 domain containing protein 0.0018 0.0012 0.0002
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0239 0.1213 0.1205
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0012 0.0005
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0036 0.0069
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0004
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0004
Echinococcus granulosus protein kinase c iota type 0.0018 0.0012 0.0005
Schistosoma mansoni ap endonuclease 0.0019 0.0021 0.003
Plasmodium falciparum phd finger protein, putative 0.0032 0.0087 0.2859
Toxoplasma gondii LsmAD domain-containing protein 0.002 0.0023 0.012
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0139 0.0346
Brugia malayi MH2 domain containing protein 0.0018 0.0012 0.0002
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0036 0.0069
Schistosoma mansoni ran 0.0049 0.0179 0.0454
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.0818 0.2163
Plasmodium falciparum ataxin-2 like protein, putative 0.002 0.0023 0.0435
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0021 0.01
Brugia malayi C1-like domain containing protein 0.0018 0.0012 0.0002
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0123 0.0301
Trypanosoma brucei polo-like protein kinase 0.0112 0.0525 0.1354
Loa Loa (eye worm) acetyltransferase 0.0166 0.0818 0.0809
Trypanosoma cruzi polo-like protein kinase, putative 0.0112 0.0525 0.1307
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0112 0.0525 0.1379
Toxoplasma gondii HEAT repeat-containing protein 0.0066 0.0274 0.2755
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0112 0.0521 0.1369
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0036 0.0026
Brugia malayi Protein kinase domain containing protein 0.0018 0.0012 0.0002
Echinococcus granulosus GTP binding nuclear protein Ran 0.0049 0.0179 0.0454
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0018 0.0012 0.0002
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0187 0.1625
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0139 0.0346
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0049 0.0179 0.3143
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0112 0.0521 0.1369
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0012 0.0002
Brugia malayi GnHR receptor homolog 0.0558 0.2945 0.2938
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0534 0.2813 0.7245
Echinococcus granulosus histone acetyltransferase KAT2B 0.0162 0.0792 0.2095
Trichomonas vaginalis D-aminoacylase, putative 0.0193 0.0965 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0021 0.0011
Loa Loa (eye worm) raf kinase 0.042 0.2194 0.2186
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0036 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0036 0.0026
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0159 0.5604
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0036 0.0069
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0154 0.0385
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0534 0.2813 0.7238
Trichomonas vaginalis CAMK family protein kinase 0.0112 0.0525 0.5386
Brugia malayi Cam kinase protein 1 0.0018 0.0011 0.0001
Brugia malayi beta-lactamase 0.0193 0.0965 0.0956
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0018 0.0012 0.0005
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0139 0.0346
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0004
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0534 0.2813 0.7238
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0021 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0036 0.0026
Schistosoma mansoni hypothetical protein 0.009 0.0401 0.1048
Loa Loa (eye worm) hypothetical protein 0.0066 0.0274 0.0264
Giardia lamblia PHD finger protein 15 0.0032 0.0087 0.1301
Schistosoma mansoni protein kinase 0.0018 0.0011 0.0004
Schistosoma mansoni hypothetical protein 0.0041 0.0139 0.0346
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0534 0.2813 0.2806
Mycobacterium tuberculosis Probable esterase LipL 0.0193 0.0965 0.143
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0036 0.0069
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0049 0.0179 0.1762
Echinococcus granulosus smad 0.0018 0.0012 0.0005
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0021 0.0101
Schistosoma mansoni smad1 5 8 and 0.0018 0.0012 0.0005
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0087 0.0205
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0018 0.0011 0.0004
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0087 0.0788
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0123 0.0113
Brugia malayi MH2 domain containing protein 0.0261 0.1332 0.1323
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0012 0.0005
Echinococcus granulosus peregrin 0.0036 0.0109 0.0264
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0214 0.0205
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0187 0.0473
Brugia malayi beta-lactamase family protein 0.0193 0.0965 0.0956
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0049 0.0179 0.017
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0054 0.0206 0.2044
Brugia malayi Bromodomain containing protein 0.0036 0.0109 0.0099
Mycobacterium ulcerans lipase LipD 0.0193 0.0965 1
Schistosoma mansoni protein kinase 0.0018 0.0011 0.0004
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0021 0.0187
Brugia malayi jmjC domain containing protein 0.0038 0.0123 0.0113
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0012 0.0005
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0187 0.0473
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0087 0.0788
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0706 0.3745 0.3739
Onchocerca volvulus 0.0193 0.0965 1
Trypanosoma brucei hypothetical protein, conserved 0.0193 0.0965 0.2488
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0036 0.0026
Schistosoma mansoni importin beta-1 0.0066 0.0274 0.0707
Echinococcus granulosus mitogen activated protein kinase 11 0.0534 0.2813 0.7503
Loa Loa (eye worm) hypothetical protein 0.0193 0.0965 0.0956
Leishmania major malonyl-coa decarboxylase-like protein 0.073 0.3878 1
Entamoeba histolytica hypothetical protein 0.0041 0.0139 0.2492
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0036 0.0069
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0018 0.0012 0.0002
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0012 0.0005
Brugia malayi jmjC domain containing protein 0.0103 0.0476 0.0466
Trypanosoma cruzi polo-like protein kinase, putative 0.0112 0.0525 0.1307
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0201 0.1006 0.2665
Loa Loa (eye worm) hypothetical protein 0.0193 0.0965 0.0956
Schistosoma mansoni smad1 5 8 and 0.0018 0.0012 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0454 0.1189
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0187 0.0473
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0036 0.0069
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0534 0.2813 0.7253

Activities

Activity type Activity value Assay description Source Reference
AOA (functional) = 1 Antiovulatory activity measured in rat ChEMBL. 1280300
AOA (functional) = 2 Antiovulatory activity measured in rat ChEMBL. 1280300
ED50 (functional) = 2.1 ug ml-1 The compound was tested in vitro for the histamine release ChEMBL. 1280300
Potency (functional) = 1.56 In vitro antagonistic potency relative to Ac-delta3Pro1-(D)Fpa2-(D)Trp3,6]GnRH ChEMBL. 1280300
Potency (functional) = 1.56 In vitro antagonistic potency relative to Ac-delta3Pro1-(D)Fpa2-(D)Trp3,6]GnRH ChEMBL. 1280300
RT (ADMET) = 10.1 min Retention time of the compound ChEMBL. 1280300

Phenotypes

Whole-cell/tissue/organism interactions

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

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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