Detailed information for compound 1624372

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 649.085 | Formula: C31H37ClN2O11
  • H donors: 5 H acceptors: 7 LogP: 1.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cccc2c1C(=O)c1c(O)c3[C@@H](OC4CC(N)C(C(O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)C(=O)CN1CCOCC1.Cl
  • InChi: 1S/C31H36N2O11.ClH/c1-14-26(35)17(32)10-21(43-14)44-19-12-31(40,20(34)13-33-6-8-42-9-7-33)11-16-23(19)30(39)25-24(28(16)37)27(36)15-4-3-5-18(41-2)22(15)29(25)38;/h3-5,14,17,19,21,26,35,37,39-40H,6-13,32H2,1-2H3;1H/t14?,17?,19-,21?,26?,31-;/m0./s1
  • InChiKey: FBMCFPYWAZGHQG-PYBHCKQVSA-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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.0002 0.0003
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0044 0.0081 0.0131
Trichomonas vaginalis CMGC family protein kinase 0.1934 0.6191 1
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.0002 0.0002
Entamoeba histolytica hypothetical protein 0.0132 0.0367 0.6677
Schistosoma mansoni transcription factor LCR-F1 0.0132 0.0367 0.0592
Onchocerca volvulus 0.0132 0.0366 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0045 0.0086 0.202
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0019 0.00000034492 0.0000062834
Brugia malayi isocitrate dehydrogenase 0.0044 0.0081 0.0131
Trichomonas vaginalis CMGC family protein kinase 0.1934 0.6191 1
Echinococcus multilocularis expressed conserved protein 0.0177 0.0512 0.0512
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.004 0.0069 0.0111
Brugia malayi ecdysteroid receptor 0.0019 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0132 0.0367 0.0592
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0132 0.0366 0.059
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0192 0.0558 0.0902
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0002 0.0003
Toxoplasma gondii isocitrate dehydrogenase 0.0044 0.0081 0.0131
Echinococcus granulosus mitogen activated protein kinase 3 0.1934 0.6191 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0189 0.0549 0.0887
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.0002 0.0003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0132 0.0367 0.0367
Plasmodium falciparum acyl-CoA synthetase 0.0034 0.0049 0.6034
Leishmania major mitochondrial DNA polymerase beta 0.0286 0.0862 0.1278
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0019 0.0002 0.0044
Echinococcus granulosus intermediate filament protein 0.0048 0.0095 0.0154
Schistosoma mansoni hypothetical protein 0.003 0.0037 0.006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.0002 0.0003
Brugia malayi follicle stimulating hormone receptor 0.0219 0.0648 0.1047
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0048 0.0095 0.0154
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.0002 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0002 0.0003
Echinococcus multilocularis mitogen activated protein kinase 0.1934 0.6191 0.6191
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1934 0.6191 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Echinococcus multilocularis mitogen activated protein kinase 3 0.1934 0.6191 0.6191
Entamoeba histolytica hypothetical protein 0.0132 0.0367 0.6677
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.0002 0.0003
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1934 0.6191 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0079 0.0127
Leishmania major 4-coumarate:coa ligase-like protein 0.0045 0.0086 0.0008
Echinococcus multilocularis musashi 0.0048 0.0095 0.0095
Giardia lamblia Kinase, CMGC MAPK 0.1934 0.6191 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.0002 0.0003
Echinococcus granulosus FTZ F1 alpha 0.0019 0.0002 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.1934 0.6191 1
Echinococcus granulosus expressed conserved protein 0.0177 0.0512 0.0827
Loa Loa (eye worm) MH2 domain-containing protein 0.0214 0.0632 0.102
Schistosoma mansoni hypothetical protein 0.0078 0.0191 0.0309
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0219 0.0648 0.1047
Loa Loa (eye worm) hypothetical protein 0.0647 0.203 0.3279
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1934 0.6191 1
Echinococcus granulosus Niemann Pick C1 protein 0.0189 0.0549 0.0887
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0079 0.0127
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0286 0.0862 0.1392
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.0002 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0201 0.0324
Loa Loa (eye worm) hypothetical protein 0.0065 0.0151 0.0243
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0043 0.0079 0.0127
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.004 0.0069 0.0111
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0002 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.0002 0.0003
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0286 0.0862 0.1392
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.0002 0.0003
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0022 0.0011 0.0019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.0002 0.0003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.003 0.0037 0.0037
Mycobacterium ulcerans hypothetical protein 0.0045 0.0086 0.202
Mycobacterium ulcerans acyl-CoA synthetase 0.0045 0.0086 0.202
Loa Loa (eye worm) hypothetical protein 0.0034 0.0049 0.0079
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.0002 0.0002
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0002 0.0003
Brugia malayi nuclear hormone receptor 0.0019 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0078 0.0191 0.0309
Echinococcus granulosus lamin dm0 0.0048 0.0095 0.0154
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.0002 0.0003
Loa Loa (eye worm) intermediate filament protein 0.0048 0.0095 0.0154
Entamoeba histolytica acyl-coA synthetase, putative 0.0045 0.0086 0.1565
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0023 0.0014 0.0014
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0135 0.0376 0.0607
Echinococcus granulosus replication factor c subunit 1 0.0019 0.00000034492 0.0000005571
Schistosoma mansoni hypothetical protein 0.0078 0.0191 0.0309
Echinococcus granulosus tumor protein p63 0.0318 0.0966 0.1561
Loa Loa (eye worm) hypothetical protein 0.0081 0.0201 0.0324
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0044 0.0081 0.0081
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0044 0.0081 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.003 0.0037 0.006
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.0002 0.0002
Brugia malayi steroid hormone receptor 0.0019 0.0002 0.0003
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0044 0.0081 0.0081
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0002 0.0003
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0044 0.0081 1
Echinococcus multilocularis protein dispatched 1 0.0092 0.0238 0.0238
Mycobacterium ulcerans acyl-CoA synthetase 0.0045 0.0086 0.202
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.0002 0.0003
Echinococcus granulosus sterol regulatory element binding protein 0.0081 0.0201 0.0324
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0048 0.0095 0.0154
Schistosoma mansoni hypothetical protein 0.0065 0.0151 0.0243
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.0002 0.0003
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0044 0.0081 0.0131
Schistosoma mansoni hypothetical protein 0.003 0.0037 0.006
Brugia malayi nuclear receptor NHR-88 0.0019 0.0002 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.1934 0.6191 1
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0086 0.0139
Brugia malayi MH2 domain containing protein 0.0214 0.0632 0.102
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0097 0.0157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.0002 0.0003
Loa Loa (eye worm) latrophilin receptor protein 2 0.003 0.0037 0.006
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0044 0.0081 0.0131
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0096 0.0249 0.0402
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0045 0.0086 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0189 0.0549 0.0887
Schistosoma mansoni lamin 0.0048 0.0095 0.0154
Echinococcus multilocularis protein patched 0.0081 0.0201 0.0201
Loa Loa (eye worm) isocitrate dehydrogenase 0.0044 0.0081 0.0131
Echinococcus granulosus lamin 0.0048 0.0095 0.0154
Schistosoma mansoni coup transcription factor 0.0019 0.0002 0.0003
Onchocerca volvulus 0.0019 0.0002 0.0044
Mycobacterium tuberculosis Conserved hypothetical protein 0.015 0.0425 1
Schistosoma mansoni hypothetical protein 0.003 0.0037 0.006
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.0002 0.0002
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1934 0.6191 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1934 0.6191 1
Treponema pallidum DNA ligase (lig) 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.0249 0.0402
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0135 0.0376 0.0607
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.0002 0.0003
Echinococcus multilocularis replication factor c subunit 1 0.0019 0.00000034492 0.00000034492
Echinococcus granulosus Niemann Pick C1 protein 0.027 0.0811 0.1309
Brugia malayi intermediate filament protein 0.0048 0.0095 0.0154
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0044 0.0081 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.0002 0.0003
Echinococcus multilocularis isocitrate dehydrogenase 0.0044 0.0081 0.0081
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0034 0.0049 0.1147
Entamoeba histolytica acyl-CoA synthetase, putative 0.0045 0.0086 0.1565
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0086 0.0139
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.0002 0.0003
Entamoeba histolytica hypothetical protein 0.0132 0.0367 0.6677
Echinococcus granulosus geminin 0.0165 0.0474 0.0765
Brugia malayi hypothetical protein 0.0647 0.203 0.3279
Schistosoma mansoni survival motor neuron protein 0.0132 0.0366 0.059
Onchocerca volvulus Bile acid receptor homolog 0.0019 0.0002 0.0044
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.0002 0.0003
Trichomonas vaginalis replication factor C large subunit, putative 0.0019 0.00000034492 0.0000005571
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.0002 0.0003
Echinococcus granulosus survival motor neuron protein 1 0.0647 0.203 0.3279
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.0002 0.0003
Brugia malayi MAP kinase sur-1 0.1934 0.6191 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0044 0.0081 0.0995
Loa Loa (eye worm) hypothetical protein 0.0045 0.0086 0.0139
Echinococcus multilocularis sterol regulatory element binding protein 0.0081 0.0201 0.0201
Onchocerca volvulus 0.0045 0.0086 0.235
Onchocerca volvulus Protein ultraspiracle homolog 0.0019 0.0002 0.0044
Brugia malayi cytoplasmic intermediate filament protein 0.0026 0.0023 0.0037
Schistosoma mansoni patched 1 0.0081 0.0201 0.0324
Echinococcus multilocularis Niemann Pick C1 protein 0.0189 0.0549 0.0549
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0045 0.0086 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0019 0.00000034492 0.0000005571
Loa Loa (eye worm) hypothetical protein 0.0022 0.0011 0.0019
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.0002 0.0003
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0099 0.026 0.0419
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0081 0.0201 0.0324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0079 0.0079
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0045 0.0086 0.202
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0045 0.0086 0.202
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0045 0.0086 0.202
Brugia malayi Isocitrate dehydrogenase 0.0044 0.0081 0.0131
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.0002 0.0003
Trypanosoma brucei DNA polymerase beta thumb, putative 0.004 0.0069 0.0111
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0045 0.0086 0.0139
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.003 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0132 0.0366 0.059
Echinococcus multilocularis lamin dm0 0.0048 0.0095 0.0095
Brugia malayi latrophilin 2 splice variant baaae 0.0065 0.0151 0.0243
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.0002 0.0003
Brugia malayi hypothetical protein 0.0132 0.0367 0.0592
Schistosoma mansoni hypothetical protein 0.0078 0.0191 0.0309
Loa Loa (eye worm) hypothetical protein 0.0034 0.0049 0.0079
Leishmania major 4-coumarate:coa ligase-like protein 0.0045 0.0086 0.0008
Schistosoma mansoni hypothetical protein 0.0165 0.0474 0.0765
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1934 0.6191 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.00000034492 0.0000005571
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1934 0.6191 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0002 0.0003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0045 0.0086 0.1128
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.0002 0.0002
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1934 0.6191 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Onchocerca volvulus 0.0048 0.0095 0.2601
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0079 0.0127
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0043 0.0079 0.0127
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.0002 0.0003
Mycobacterium ulcerans hypothetical protein 0.015 0.0425 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.003 0.0037 0.006
Echinococcus multilocularis survival motor neuron protein 1 0.0647 0.203 0.203
Echinococcus granulosus GPCR family 2 0.003 0.0037 0.006
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.0002 0.0003
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0023 0.0014 0.0023
Toxoplasma gondii hypothetical protein 0.0046 0.0088 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0002 0.0003
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.004 0.0069 0.0111
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0189 0.0549 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.003 0.0037 0.006
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0034 0.0049 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0045 0.0086 0.0008
Trichomonas vaginalis CMGC family protein kinase 0.1934 0.6191 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.0002 0.0003
Brugia malayi AMP-binding enzyme family protein 0.0045 0.0086 0.0139
Trypanosoma brucei protein kinase, putative 0.1934 0.6191 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0044 0.0081 0.0131
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.00000034492 0.0000005571
Loa Loa (eye worm) hypothetical protein 0.0045 0.0086 0.0139
Echinococcus multilocularis GPCR, family 2 0.003 0.0037 0.0037
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0044 0.0081 0.0131
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0043 0.0079 0.0127
Loa Loa (eye worm) transcription factor SMAD2 0.0214 0.0632 0.102
Schistosoma mansoni cellular tumor antigen P53 0.0047 0.0089 0.0144
Mycobacterium ulcerans acyl-CoA synthetase 0.0045 0.0086 0.202
Loa Loa (eye worm) hypothetical protein 0.0047 0.0092 0.0149
Brugia malayi Latrophilin receptor protein 2 0.003 0.0037 0.006
Schistosoma mansoni hypothetical protein 0.003 0.0037 0.006
Plasmodium vivax acyl-CoA synthetase, putative 0.0034 0.0049 0.6034
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.0002 0.0003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0132 0.0367 0.0592
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0002 0.0003
Echinococcus multilocularis tumor protein p63 0.0318 0.0966 0.0966
Echinococcus granulosus mitogen activated protein kinase 0.1934 0.6191 1
Schistosoma mansoni lamin 0.0048 0.0095 0.0154
Brugia malayi Intermediate filament tail domain containing protein 0.0048 0.0095 0.0154
Echinococcus multilocularis Niemann Pick C1 protein 0.027 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0047 0.0089 0.0144
Entamoeba histolytica hypothetical protein 0.0132 0.0367 0.6677
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0002 0.0003
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0026 0.0023 0.0037
Loa Loa (eye worm) hypothetical protein 0.0034 0.0049 0.0079
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1934 0.6191 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0049 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.0002 0.0003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0096 0.0249 0.0402
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0135 0.0376 0.0483
Onchocerca volvulus 0.0047 0.0089 0.2445
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0034 0.0049 0.0079
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0286 0.0862 0.1392
Entamoeba histolytica acyl-CoA synthetase, putative 0.0045 0.0086 0.1565
Schistosoma mansoni hypothetical protein 0.0165 0.0474 0.0765
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0002 0.0003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0043 0.0079 0.0127
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0034 0.0049 0.0157
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0002 0.0002
Schistosoma mansoni intermediate filament proteins 0.0048 0.0095 0.0154
Echinococcus granulosus Protein patched homolog 1 0.0081 0.0201 0.0324
Loa Loa (eye worm) hypothetical protein 0.0019 0.0002 0.0003
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0045 0.0086 0.1128
Toxoplasma gondii isocitrate dehydrogenase 0.0044 0.0081 0.0131
Loa Loa (eye worm) hypothetical protein 0.003 0.0037 0.006
Brugia malayi Calcitonin receptor-like protein seb-1 0.0096 0.0249 0.0402
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0043 0.0079 0.0079
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0044 0.0081 0.0081
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0002 0.0003
Onchocerca volvulus 0.0048 0.0095 0.2601
Toxoplasma gondii ATPase, AAA family protein 0.0019 0.00000034492 0.0000005571
Echinococcus multilocularis lamin 0.0048 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0023 0.0014 0.0023
Echinococcus multilocularis geminin 0.0165 0.0474 0.0474
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0002 0.0002
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0019 0 0.5
Brugia malayi CHE-14 protein 0.0081 0.0201 0.0324
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.0002 0.0002
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0044 0.0081 0.0131

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -9.4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.442 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the P388 Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.048 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.619 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.507 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.486 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.388 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.276 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.721 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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