Detailed information for compound 1823316

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.593 | Formula: C28H33N5O4
  • H donors: 2 H acceptors: 5 LogP: 1.96 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@H](N1C[C@H](C)[C@@H](CN(Cc2ccncc2)C)Oc2c(C1=O)cccc2NC(=O)c1ccncc1)C
  • InChi: 1S/C28H33N5O4/c1-19-15-33(20(2)18-34)28(36)23-5-4-6-24(31-27(35)22-9-13-30-14-10-22)26(23)37-25(19)17-32(3)16-21-7-11-29-12-8-21/h4-14,19-20,25,34H,15-18H2,1-3H3,(H,31,35)/t19-,20-,25+/m0/s1
  • InChiKey: AGORTOPMOHYRAG-ZYLNGJIFSA-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
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0042 0.0041
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0009 0.0374
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Loa Loa (eye worm) runx1 0.0054 0.0169 0.0168
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.1878 1 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.1234 0.1233
Echinococcus granulosus lysosomal alpha glucosidase 0.0176 0.0827 0.0826
Mycobacterium leprae Probable lipase LipE 0.0067 0.024 0.9221
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.0262 0.0261
Toxoplasma gondii ABC1 family protein 0.0067 0.024 1
Trichomonas vaginalis esterase, putative 0.0067 0.024 0.1325
Echinococcus granulosus BC026374 protein S09 family 0.0252 0.1234 0.1233
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Brugia malayi Carboxylesterase family protein 0.0252 0.1234 0.1233
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0023 0.0001 0.0037
Loa Loa (eye worm) carboxylesterase 0.1491 0.791 0.791
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0042 0.0041
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0043 0.0107 0.0106
Mycobacterium tuberculosis Carboxylesterase LipT 0.0252 0.1234 0.5623
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0042 0.0041
Schistosoma mansoni growth factor receptor-bound protein 0.0036 0.0068 0.0067
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0042 0.0041
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0042 0.0041
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0594 0.308 0.3079
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0027 0.0024 0.0023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0147 0.0671
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0042 0.0041
Leishmania major hypothetical protein, conserved 0.0025 0.0009 0.0342
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0042 0.0041
Loa Loa (eye worm) hypothetical protein 0.0053 0.0163 0.0162
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0096 0.0095
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.026 0.9924
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.01 0.0099
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0036 0.0068 0.0067
Loa Loa (eye worm) hypothetical protein 0.0067 0.024 0.0239
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.0567 0.0566
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0099 0.0412 0.0411
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0088 0.3658
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0992 0.5222 0.5222
Entamoeba histolytica acyl-coA synthetase, putative 0.0071 0.026 0.9924
Echinococcus granulosus acetylcholinesterase 0.1491 0.791 0.791
Mycobacterium ulcerans hypothetical protein 0.0067 0.024 0.1941
Brugia malayi nuclear hormone receptor 0.0031 0.0042 0.0041
Brugia malayi Carboxylesterase family protein 0.0252 0.1234 0.1233
Brugia malayi Muscleblind-like protein 0.0302 0.1504 0.1503
Echinococcus multilocularis growth factor receptor bound protein 2 0.0036 0.0068 0.0067
Brugia malayi Sex muscle abnormal protein 5 0.0036 0.0068 0.0067
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0042 0.0041
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0042 0.0041
Mycobacterium ulcerans carboxylesterase, LipT 0.0252 0.1234 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0163 0.0162
Echinococcus multilocularis BC026374 protein (S09 family) 0.0252 0.1234 0.1233
Loa Loa (eye worm) hypothetical protein 0.0252 0.1234 0.1233
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0654 0.0653
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0042 0.0041
Plasmodium falciparum acyl-CoA synthetase 0.0053 0.0163 1
Schistosoma mansoni hypothetical protein 0.0043 0.0107 0.0106
Schistosoma mansoni tyrosine kinase 0.0041 0.0096 0.0095
Echinococcus multilocularis tyrosine protein kinase Abl 0.0041 0.0096 0.0095
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0252 0.1234 0.1233
Echinococcus multilocularis acetylcholinesterase 0.1491 0.791 0.791
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0042 0.0041
Onchocerca volvulus 0.0071 0.026 0.1172
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.0262 1
Echinococcus granulosus acetylcholinesterase 0.1491 0.791 0.791
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 0.0827 0.0826
Entamoeba histolytica hypothetical protein 0.0035 0.0066 0.2529
Plasmodium vivax hypothetical protein, conserved 0.0067 0.024 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0088 0.0087
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0066 0.0065
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0067 0.024 0.1092
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0088 0.3347
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0067 0.024 0.1092
Brugia malayi AMP-binding enzyme family protein 0.0071 0.026 0.0259
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0042 0.0041
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.0567 0.0566
Onchocerca volvulus 0.0067 0.024 0.1081
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0099 0.0412 0.0411
Loa Loa (eye worm) hypothetical protein 0.0135 0.0603 0.0602
Echinococcus multilocularis Protein lozenge 0.0054 0.0169 0.0168
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0042 0.0041
Loa Loa (eye worm) hypothetical protein 0.0071 0.026 0.0259
Echinococcus granulosus GPCR family 2 0.0043 0.0107 0.0106
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0567 0.0566
Schistosoma mansoni coup transcription factor 0.0031 0.0042 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.087 0.087
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0041 0.0096 0.0095
Onchocerca volvulus 0.0252 0.1234 0.5585
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0088 0.3112
Schistosoma mansoni hypothetical protein 0.0092 0.0373 0.0372
Loa Loa (eye worm) hypothetical protein 0.0067 0.024 0.0239
Loa Loa (eye worm) carboxylesterase 0.0252 0.1234 0.1233
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0252 0.1234 0.5623
Mycobacterium ulcerans beta-lactamase 0.0067 0.024 0.1941
Brugia malayi hypothetical protein 0.0433 0.2209 0.2208
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0042 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0042 0.0041
Echinococcus granulosus tyrosine protein kinase Lyn 0.0044 0.0116 0.0115
Loa Loa (eye worm) RNA binding protein 0.0128 0.0567 0.0566
Echinococcus granulosus NCK adaptor protein 0.0036 0.0068 0.0067
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0042 0.0041
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.026 0.9924
Schistosoma mansoni BC026374 protein (S09 family) 0.0252 0.1234 0.1233
Mycobacterium tuberculosis Probable hydrolase 0.0067 0.024 0.1092
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0009 0.0549
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.087 0.087
Schistosoma mansoni hypothetical protein 0.0043 0.0107 0.0106
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0042 0.0041
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0096 0.0095
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0042 0.0187
Brugia malayi SRC-1 0.0041 0.0096 0.0095
Brugia malayi Tyrosine-protein kinase abl-1 0.0041 0.0096 0.0095
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0071 0.026 0.2105
Trichomonas vaginalis D-aminoacylase, putative 0.0067 0.024 0.1325
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0042 0.0041
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0067 0.024 0.1092
Schistosoma mansoni hypothetical protein 0.0334 0.1676 0.1676
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0067 0.024 0.0239
Loa Loa (eye worm) hypothetical protein 0.0067 0.024 0.0239
Loa Loa (eye worm) hypothetical protein 0.0252 0.1234 0.1233
Brugia malayi AMP-binding enzyme family protein 0.0071 0.026 0.0259
Loa Loa (eye worm) hypothetical protein 0.1491 0.791 0.791
Brugia malayi Carboxylesterase family protein 0.1491 0.791 0.791
Echinococcus multilocularis microtubule associated protein 2 0.1351 0.7157 0.7157
Mycobacterium tuberculosis Probable lipase LipD 0.0067 0.024 0.1092
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0042 0.0041
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0042 0.0187
Echinococcus granulosus growth factor receptor bound protein 2 0.0036 0.0068 0.0067
Brugia malayi hypothetical protein 0.0252 0.1234 0.1233
Schistosoma mansoni tyrosine kinase 0.0041 0.0096 0.0095
Loa Loa (eye worm) hypothetical protein 0.0081 0.0315 0.0314
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.0262 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.1234 0.1233
Brugia malayi hypothetical protein 0.0025 0.0009 0.0008
Echinococcus granulosus transcription factor Dp 1 0.0041 0.01 0.0099
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0071 0.026 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1491 0.791 0.791
Echinococcus granulosus tyrosine protein kinase Src64B 0.0041 0.0096 0.0095
Onchocerca volvulus 0.0252 0.1234 0.5585
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0042 0.0041
Brugia malayi TAR-binding protein 0.0128 0.0567 0.0566
Loa Loa (eye worm) carboxylesterase 0.0252 0.1234 0.1233
Loa Loa (eye worm) latrophilin receptor protein 2 0.0043 0.0107 0.0106
Echinococcus multilocularis NCK adaptor protein 0.0036 0.0068 0.0067
Leishmania major 4-coumarate:coa ligase-like protein 0.0071 0.026 0.9924
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.087 0.087
Brugia malayi hypothetical protein 0.0035 0.0066 0.0065
Echinococcus multilocularis neuroligin 0.0252 0.1234 0.1233
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0088 0.0087
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0147 0.0671
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0135 0.0603 0.0602
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0042 0.0041
Onchocerca volvulus 0.0031 0.0042 0.0187
Schistosoma mansoni nck2/grb4 0.0036 0.0068 0.0067
Brugia malayi steroid hormone receptor 0.0031 0.0042 0.0041
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0147 0.0671
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0042 0.0041
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0042 0.0187
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.0262 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0567 0.0566
Brugia malayi beta-lactamase 0.0067 0.024 0.0239
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0043 0.0107 0.0106
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0315 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0042 0.0041
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.0262 0.0261
Onchocerca volvulus 0.0252 0.1234 0.5585
Mycobacterium leprae conserved hypothetical protein 0.0067 0.024 0.9221
Loa Loa (eye worm) hypothetical protein 0.0302 0.1504 0.1503
Trypanosoma brucei hypothetical protein, conserved 0.0067 0.024 0.9151
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0071 0.026 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0042 0.0041
Loa Loa (eye worm) hypothetical protein 0.0053 0.0163 0.0162
Entamoeba histolytica hypothetical protein 0.0035 0.0066 0.2529
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0041 0.0096 0.0095
Loa Loa (eye worm) DEAH box polypeptide 35 0.0113 0.0484 0.0483
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0053 0.0163 0.0743
Loa Loa (eye worm) hypothetical protein 0.0252 0.1234 0.1233
Echinococcus multilocularis tar DNA binding protein 0.0128 0.0567 0.0566
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0042 0.0041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0042 0.0041
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0036 0.0068 0.0067
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0099 0.0412 0.0411
Loa Loa (eye worm) hypothetical protein 0.0302 0.1504 0.1503
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0042 0.0041
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0042 0.0041
Plasmodium vivax acyl-CoA synthetase, putative 0.0053 0.0163 0.6803
Trichomonas vaginalis spcc417.12 protein, putative 0.0252 0.1234 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0041 0.0096 0.0095
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0042 0.0041
Echinococcus multilocularis carboxylesterase 5A 0.1491 0.791 0.791
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0992 0.5222 0.5222
Brugia malayi beta-lactamase family protein 0.0067 0.024 0.0239
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0042 0.0041
Schistosoma mansoni alpha glucosidase 0.0039 0.0088 0.0087
Mycobacterium ulcerans hypothetical protein 0.0071 0.026 0.2105
Entamoeba histolytica acyl-CoA synthetase, putative 0.0071 0.026 0.9924
Loa Loa (eye worm) hypothetical protein 0.0252 0.1234 0.1233
Brugia malayi Latrophilin receptor protein 2 0.0043 0.0107 0.0106
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0042 0.0041
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0071 0.026 0.1184
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0042 0.0041
Loa Loa (eye worm) hypothetical protein 0.0071 0.026 0.0259
Mycobacterium tuberculosis Conserved protein 0.0067 0.024 0.1092
Loa Loa (eye worm) hypothetical protein 0.1491 0.791 0.791
Brugia malayi Calcitonin receptor-like protein seb-1 0.0135 0.0603 0.0602
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.026 0.2105
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0067 0.024 0.1941
Loa Loa (eye worm) hypothetical protein 0.0028 0.0027 0.0026
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0041 0.0096 0.0095
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 0.0827 0.0826
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0071 0.026 0.2105
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0042 0.0041
Loa Loa (eye worm) hypothetical protein 0.0433 0.2209 0.2208
Loa Loa (eye worm) SRC-1 0.0041 0.0096 0.0095
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0252 0.1234 0.5623
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.024 0.9121
Echinococcus multilocularis beta LACTamase domain containing family member 0.0067 0.024 0.0239
Loa Loa (eye worm) hypothetical protein 0.0252 0.1234 0.1233
Brugia malayi Probable ATP-dependent helicase DHX35 0.0113 0.0484 0.0483
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Schistosoma mansoni tyrosine kinase 0.0041 0.0096 0.0095
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0043 0.0107 0.0106
Brugia malayi ecdysteroid receptor 0.0031 0.0042 0.0041
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.087 0.087
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.0262 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0009 0.0342
Trypanosoma cruzi hypothetical protein, conserved 0.0067 0.024 0.9121
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0042 0.0041
Schistosoma mansoni neuroligin 3 (S09 family) 0.0252 0.1234 0.1233
Echinococcus multilocularis acetylcholinesterase 0.1491 0.791 0.791
Brugia malayi Carboxylesterase family protein 0.0252 0.1234 0.1233
Mycobacterium ulcerans esterase/lipase LipP 0.0067 0.024 0.1941
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.087 0.087
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0096 0.0095
Onchocerca volvulus 0.0252 0.1234 0.5585
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0042 0.0041
Schistosoma mansoni acetylcholinesterase 0.0252 0.1234 0.1233
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0041 0.0096 0.0095
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0654 0.0653
Brugia malayi Glycosyl hydrolases family 31 protein 0.0176 0.0827 0.0826
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0066 0.0065
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0042 0.0041
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0147 0.0671
Schistosoma mansoni serine/threonine protein kinase 0.1878 1 1
Mycobacterium tuberculosis Conserved protein 0.0067 0.024 0.1092
Echinococcus multilocularis geminin 0.0334 0.1676 0.1676
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0028 0.0027 0.0026
Loa Loa (eye worm) voltage-gated potassium channel 0.0096 0.0395 0.0394
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0042 0.0041
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0042 0.0041
Echinococcus granulosus para nitrobenzyl esterase 0.0252 0.1234 0.1233
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0042 0.0041
Loa Loa (eye worm) hypothetical protein 0.0025 0.0009 0.0008
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0088 0.3347
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0041 0.0096 0.0095
Loa Loa (eye worm) hypothetical protein 0.0067 0.024 0.0239
Echinococcus granulosus neuroligin 0.0252 0.1234 0.1233
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0042 0.0041
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.026 0.1184
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0096 0.0095
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.0262 0.0261
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0088 0.3347
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0042 0.0041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0067 0.024 0.0239
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0252 0.1234 0.1233
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0042 0.0041
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0042 0.0041
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.0262 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0252 0.1234 1
Schistosoma mansoni hypothetical protein 0.0043 0.0107 0.0106
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0053 0.0163 0.1321
Echinococcus multilocularis muscleblind protein 1 0.0302 0.1504 0.1503
Schistosoma mansoni alpha-glucosidase 0.0152 0.0695 0.0694
Brugia malayi Variant SH3 domain containing protein 0.0036 0.0068 0.0067
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0135 0.0603 0.0602
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0184 0.087 0.087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0042 0.0041
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.0262 0.0261
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0041 0.0096 0.0095
Onchocerca volvulus 0.0067 0.024 0.1081
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0027 0.0024 0.0023
Loa Loa (eye worm) hypothetical protein 0.0071 0.026 0.0259
Schistosoma mansoni tyrosine kinase 0.0974 0.5127 0.5127
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0053 0.0163 1
Echinococcus granulosus carboxylesterase 5A 0.1491 0.791 0.791
Onchocerca volvulus 0.0433 0.2209 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0252 0.1234 0.1233
Loa Loa (eye worm) hypothetical protein 0.0067 0.024 0.0239
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0071 0.026 0.2105
Entamoeba histolytica hypothetical protein 0.0027 0.0024 0.0924
Entamoeba histolytica hypothetical protein 0.0035 0.0066 0.2529
Mycobacterium tuberculosis Probable lipase LipE 0.0067 0.024 0.1092
Entamoeba histolytica hypothetical protein 0.0035 0.0066 0.2529
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1491 0.791 0.791
Echinococcus granulosus beta LACTamase domain containing family member 0.0067 0.024 0.0239
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0252 0.1234 0.1233
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.0262 0.0261
Mycobacterium tuberculosis Conserved protein 0.0067 0.024 0.1092
Loa Loa (eye worm) hypothetical protein 0.0053 0.0163 0.0162
Brugia malayi Carboxylesterase family protein 0.0252 0.1234 0.1233
Brugia malayi Carboxylesterase family protein 0.1491 0.791 0.791
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0042 0.0041
Loa Loa (eye worm) TAR-binding protein 0.0128 0.0567 0.0566
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0176 0.0827 0.0826
Brugia malayi MH2 domain containing protein 0.0144 0.0654 0.0653
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0088 0.0087
Echinococcus multilocularis c src tyrosine kinase 0.0041 0.0096 0.0095
Entamoeba histolytica acyl-CoA synthetase, putative 0.0071 0.026 0.9924
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.026 0.2105
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0043 0.0107 0.0106
Schistosoma mansoni lozenge 0.0054 0.0169 0.0168
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0567 0.0566
Echinococcus granulosus geminin 0.0334 0.1676 0.1676
Brugia malayi latrophilin 2 splice variant baaae 0.0092 0.0373 0.0372
Echinococcus granulosus muscleblind protein 0.0302 0.1504 0.1503
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0042 0.0041
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0041 0.0096 0.0095
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0042 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.087 0.087
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.087 0.087
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0184 0.087 0.087
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0252 0.1234 0.1233
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0096 0.0095
Schistosoma mansoni tyrosine kinase 0.0041 0.0096 0.0095
Loa Loa (eye worm) hypothetical protein 0.0092 0.0373 0.0372
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0099 0.0412 0.0411
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0315 0.0314
Mycobacterium tuberculosis Possible penicillin-binding protein 0.043 0.2195 1
Schistosoma mansoni adapter molecule crk 0.0036 0.0068 0.0067
Brugia malayi nuclear receptor NHR-88 0.0031 0.0042 0.0041
Brugia malayi beta-lactamase family protein 0.0067 0.024 0.0239
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.0027 0.0024 0.0023
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0067 0.024 0.0239
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0088 0.3112
Onchocerca volvulus 0.0067 0.024 0.1081
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.026 0.2105
Schistosoma mansoni alpha-glucosidase 0.0152 0.0695 0.0694
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0009 0.0549
Loa Loa (eye worm) beta-lactamase 0.0067 0.024 0.0239
Echinococcus granulosus c-Jun N-terminal kinases 0.1878 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0315 0.0314
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0042 0.0041
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0071 0.026 0.2105
Loa Loa (eye worm) hypothetical protein 0.0031 0.0042 0.0041
Trichomonas vaginalis D-aminoacylase, putative 0.0067 0.024 0.1325
Onchocerca volvulus 0.0252 0.1234 0.5585
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0041 0.0096 0.0095
Loa Loa (eye worm) hypothetical protein 0.0053 0.0163 0.0162
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0066 0.0065
Loa Loa (eye worm) hypothetical protein 0.0433 0.2209 0.2208
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0067 0.024 0.0239
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0096 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0042 0.0041
Mycobacterium ulcerans lipase LipD 0.0067 0.024 0.1941
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0567 0.0566
Trichomonas vaginalis penicillin-binding protein, putative 0.0067 0.024 0.1325
Echinococcus multilocularis muscleblind protein 0.0302 0.1504 0.1503
Echinococcus granulosus tyrosine protein kinase Src42A 0.0041 0.0096 0.0095
Brugia malayi RNA binding protein 0.0128 0.0567 0.0566
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0036 0.0068 0.0067
Leishmania major hypothetical protein, conserved 0.0067 0.024 0.9151
Mycobacterium ulcerans ion transport protein 0.0072 0.0266 0.2154
Schistosoma mansoni gliotactin 0.0252 0.1234 0.1233
Schistosoma mansoni vav2 0.0028 0.0027 0.0026
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0252 0.1234 0.1233
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0042 0.0041
Loa Loa (eye worm) hypothetical protein 0.0036 0.0068 0.0067
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0315 0.0314
Schistosoma mansoni hypothetical protein 0.0334 0.1676 0.1676
Schistosoma mansoni tar DNA-binding protein 0.0128 0.0567 0.0566
Onchocerca volvulus 0.0102 0.0426 0.1927
Echinococcus granulosus microtubule associated protein 2 0.1351 0.7157 0.7157
Trichomonas vaginalis penicillin-binding protein, putative 0.0067 0.024 0.1325
Schistosoma mansoni growth factor receptor-bound protein 0.0036 0.0068 0.0067
Brugia malayi Variant SH3 domain containing protein 0.0028 0.0027 0.0026
Mycobacterium tuberculosis Probable esterase LipL 0.0067 0.024 0.1092
Echinococcus multilocularis GPCR, family 2 0.0043 0.0107 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0042 0.0041
Trypanosoma brucei glucosidase, putative 0.0039 0.0088 0.3347
Onchocerca volvulus 0.0081 0.0315 0.1422
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0088 0.0087
Trichomonas vaginalis D-aminoacylase, putative 0.0067 0.024 0.1325
Schistosoma mansoni hypothetical protein 0.0035 0.0066 0.0065
Echinococcus granulosus tar DNA binding protein 0.0128 0.0567 0.0566
Loa Loa (eye worm) hypothetical protein 0.0043 0.0107 0.0106
Brugia malayi Variant SH3 domain containing protein 0.0036 0.0068 0.0067
Brugia malayi AMP-binding enzyme family protein 0.0071 0.026 0.0259
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0009 0.0374
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0042 0.0041
Echinococcus multilocularis c Jun NH2 terminal kinase 0.1878 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.024 0.0239
Loa Loa (eye worm) hypothetical protein 0.0113 0.0484 0.0483
Echinococcus granulosus c src tyrosine kinase 0.0041 0.0096 0.0095
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0042 0.0041
Schistosoma mansoni hypothetical protein 0.0043 0.0107 0.0106
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0042 0.0041
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0043 0.0107 0.0106
Schistosoma mansoni microtubule-associated protein tau 0.1351 0.7157 0.7157

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 32000 nM Antitrypanosomal activity against Trypanosoma cruzi Tulahuen infected in mouse NIH/3T3 cells assessed as multimode parasite growth inhibition after 4 days by beta-galactosidase reporter gene assay ChEMBL. 24900788

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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