Detailed information for compound 1508775

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.592 | Formula: C29H34N2O3
  • H donors: 0 H acceptors: 1 LogP: 4.59 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1ccccc1)Cc1ccc(cc1)C(=O)c1ccc(cc1)OCCCN1CCOCC1
  • InChi: 1S/C29H34N2O3/c1-30(22-24-6-3-2-4-7-24)23-25-8-10-26(11-9-25)29(32)27-12-14-28(15-13-27)34-19-5-16-31-17-20-33-21-18-31/h2-4,6-15H,5,16-23H2,1H3
  • InChiKey: MWWZUDCUVPZYEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acetylcholinesterase (Yt blood group) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0023 0.0365
Treponema pallidum cation-activated repressor protein (troR) 0.1277 0.4787 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0024 0.0031 0.0556
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0024 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Loa Loa (eye worm) blistered cuticle protein 3 0.0038 0.0084 0.0666
Schistosoma mansoni cytochrome oxidase subunit 0.0076 0.0226 0.1821
Onchocerca volvulus Cytochrome c oxidase subunit 1 homolog 0.0076 0.0226 1
Mycobacterium leprae PROBABLE CYTOCHROME C OXIDASE POLYPEPTIDE I CTAD (CYTOCHROME AA3 SUBUNIT 1) 0.0076 0.0226 0.0201
Mycobacterium ulcerans cytochrome C oxidase polypeptide I CtaD 0.0076 0.0226 0.0222
Brugia malayi Animal haem peroxidase family protein 0.0038 0.0084 0.0635
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0024 0.0031 0.0005
Echinococcus multilocularis dihydrofolate reductase 0.0334 0.1205 1
Echinococcus granulosus acetylcholinesterase 0.0082 0.0249 0.2016
Brugia malayi hypothetical protein 0.0035 0.0071 0.0528
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0026 0.0022
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0023 0.016
Plasmodium vivax cytochrome c oxidase subunit I 0.0076 0.0226 0.1711
Schistosoma mansoni cytochrome oxidase subunit 0.0076 0.0226 0.1821
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0128 0.0423 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0128 0.0423 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Schistosoma mansoni dihydrofolate reductase 0.0334 0.1205 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0024 0.0031 0.0556
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0024 0.0031 0.0556
Echinococcus multilocularis geminin 0.0165 0.0563 0.4636
Brugia malayi Cytochrome P450 family protein 0.0032 0.0061 0.0444
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0095 0.0678
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0024 0.0031 0.0027
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0024 0.0031 0.0031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Echinococcus granulosus cysteinyl tRNA synthetase 0.0039 0.0085 0.0646
Brugia malayi Cytochrome P450 family protein 0.0022 0.0023 0.0126
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.0473 0.3881
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0026 0.0435
Mycobacterium ulcerans transcriptional repressor SirR 0.1805 0.6791 0.6789
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0031
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0614 0.2268 0.2265
Mycobacterium ulcerans cytochrome C oxidase polypeptide I CtaD 0.0076 0.0226 0.0222
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.0151
Mycobacterium tuberculosis Iron-dependent repressor and activator IdeR 0.1805 0.6791 0.6791
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0024 0.0031 0.0027
Mycobacterium ulcerans hypothetical protein 0.0023 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0004 0.0004
Treponema pallidum cysteinyl-tRNA synthetase 0.0039 0.0085 0.0162
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0024 0.0031 0.0209
Chlamydia trachomatis metal ABC transporter permease 0.0369 0.1339 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0031 0.0225
Schistosoma mansoni peroxidasin 0.0038 0.0084 0.0635
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0359 0.1302 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0249 0.2043
Loa Loa (eye worm) acetyltransferase 0.0141 0.0473 0.3902
Mycobacterium tuberculosis Probable transcriptional repressor SirR 0.1805 0.6791 0.6791
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.0155 0.1231
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0024 0.0031 0.0556
Onchocerca volvulus 0.0038 0.0084 0.2897
Schistosoma mansoni hypothetical protein 0.0165 0.0563 0.4636
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.0473 0.3881
Chlamydia trachomatis dihydrofolate reductase 0.0334 0.1205 0.8999
Mycobacterium ulcerans iron-dependent repressor and activator IdeR 0.1805 0.6791 0.6789
Echinococcus granulosus carboxylesterase 5A 0.0082 0.0249 0.2016
Onchocerca volvulus Dual oxidase homolog 0.0038 0.0084 0.2897
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0155 0.1231
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0184
Mycobacterium ulcerans cytochrome C oxidase (subunit III) CtaE 0.0069 0.0202 0.0199
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0184
Loa Loa (eye worm) dihydrofolate reductase 0.0334 0.1205 1
Entamoeba histolytica hypothetical protein 0.0035 0.0071 0.8176
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0024 0.0031 0.0193
Loa Loa (eye worm) oxidoreductase 0.0024 0.0031 0.0225
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0024 0.0031 0.0556
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0024 0.0031 0.0027
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0023 0.0026 0.0184
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.0151
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0023 0.0365
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Plasmodium vivax cysteine--tRNA ligase, putative 0.0039 0.0085 0.0627
Entamoeba histolytica hypothetical protein 0.0035 0.0071 0.8176
Mycobacterium tuberculosis Possible oxidoreductase 0.0024 0.0031 0.0031
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0008 0.0031
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0155 0.1231
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0024 0.0031 0.0556
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0095 0.0707
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Wolbachia endosymbiont of Brugia malayi cysteinyl-tRNA synthetase 0.0039 0.0085 0.0598
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0039 0.0085 0.0646
Brugia malayi Animal haem peroxidase family protein 0.0038 0.0084 0.0635
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.0155 0.126
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0024 0.0031 0.0027
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.0249 0.2016
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0334 0.1205 0.1183
Mycobacterium tuberculosis Probable cytochrome C oxidase (subunit III) CtaE 0.0069 0.0202 0.0202
Onchocerca volvulus Peroxidase homolog 0.0038 0.0084 0.2897
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Brugia malayi cytochrome c oxidase subunit III 0.0027 0.0041 0.0277
Schistosoma mansoni dihydropteridine reductase 0.0024 0.0031 0.0193
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0026 0.2334
Schistosoma mansoni cytochrome-c oxidase 0.0069 0.0202 0.1624
Brugia malayi Animal haem peroxidase family protein 0.0038 0.0084 0.0635
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0024 0.0031 0.0193
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0155 0.1231
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0095 0.0733
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0024 0.0031 0.0031
Brugia malayi jmjC domain containing protein 0.0057 0.0155 0.1231
Brugia malayi Blistered cuticle protein 3 0.0038 0.0084 0.0635
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0023 0.016
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0359 0.1302 0.1302
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Toxoplasma gondii hypothetical protein 0.0042 0.01 0.0711
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.0458 0.3756
Plasmodium falciparum cytochrome c oxidase subunit 1 0.0076 0.0226 0.1711
Loa Loa (eye worm) animal heme peroxidase 0.0038 0.0084 0.0666
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0024 0.0031 0.0193
Loa Loa (eye worm) animal heme peroxidase 0.0038 0.0084 0.0666
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0022
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0128 0.0423 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0008 0.0008
Echinococcus granulosus Cytochrome c oxidase subunit III 0.0069 0.0202 0.1624
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0039 0.0085 0.1864
Brugia malayi Animal haem peroxidase family protein 0.0038 0.0084 0.0635
Toxoplasma gondii hypothetical protein 0.0042 0.01 0.0711
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Trichomonas vaginalis hypothetical protein 0.0359 0.1302 1
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0614 0.2268 0.2268
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0031
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0024 0.0031 0.0209
Brugia malayi Carboxylesterase family protein 0.0082 0.0249 0.2016
Loa Loa (eye worm) cytochrome c oxidase subunit III 0.0027 0.0041 0.0309
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.0473 0.3881
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0024 0.0031 0.0225
Echinococcus granulosus leucyl tRNA synthetase 0.0039 0.0085 0.0646
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0026 0.0022
Mycobacterium leprae PROBABLE CYTOCHROME C OXIDASE (SUBUNIT III) CTAE 0.0069 0.0202 0.0177
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0249 0.2016
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0024 0.0031 0.0193
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0082 0.965
Echinococcus multilocularis peroxidasin 0.0038 0.0084 0.0635
Schistosoma mansoni cytochrome c oxidase subunit I 0.0031 0.0056 0.0405
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0023 0.0365
Brugia malayi Cytochrome P450 family protein 0.0022 0.0023 0.0126
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 1 0.0076 0.0226 0.1685
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Leishmania major pteridine reductase 1 0.0024 0.0031 0.0556
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0023 0.016
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0334 0.1205 0.1205
Mycobacterium tuberculosis Probable cytochrome C oxidase polypeptide I CtaD (cytochrome AA3 subunit 1) 0.0076 0.0226 0.0226
Brugia malayi Carboxylesterase family protein 0.0082 0.0249 0.2016
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0022
Mycobacterium leprae IRON-DEPENDENT REPRESSOR AND ACTIVATOR IDER 0.1805 0.6791 0.6782
Onchocerca volvulus Peroxidasin homolog 0.0038 0.0084 0.2897
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0026 0.2334
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0024 0.0031 0.0178
Echinococcus granulosus dihydrofolate reductase 0.0334 0.1205 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0085 0.0678
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0.0031 0.0031
Chlamydia trachomatis cysteine--tRNA ligase 0.0039 0.0085 0.061
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0155 0.1231
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0128 0.0423 0.3227
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Plasmodium vivax cytochrome c oxidase subunit 3 0.0069 0.0202 0.1529
Mycobacterium tuberculosis Possible oxidoreductase 0.0024 0.0031 0.0031
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 3 0.0069 0.0202 0.1502
Leishmania major oxidoreductase-like protein 0.0024 0.0031 0.0556
Schistosoma mansoni cytochrome oxidase subunit 0.0076 0.0226 0.1821
Onchocerca volvulus 0.0038 0.0084 0.2897
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0039 0.0085 0.0646
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0082 0.965
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Trypanosoma brucei oxidoreductase-like protein 0.0024 0.0031 0.0556
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.0023 0.0019
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0039 0.0085 0.1864
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0071 0.0528
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0008 0.0031
Brugia malayi hypothetical protein 0.0038 0.0084 0.0635
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0039 0.0085 0.0598
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0039 0.0085 0.1864
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0026 0.0026
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0026 0.0022
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0024 0.0031 0.0178
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0008 0.0033
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0024 0.0031 0.0027
Schistosoma mansoni cytochrome oxidase subunit 0.0076 0.0226 0.1821
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0039 0.0085 0.0646
Onchocerca volvulus 0.0076 0.0226 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.0155 0.1231
Schistosoma mansoni hypothetical protein 0.0035 0.0071 0.0528
Brugia malayi jmjC domain containing protein 0.0057 0.0155 0.1231
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0024 0.0031 0.298
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0334 0.1205 0.1202
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0026 0.0435
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Loa Loa (eye worm) hypothetical protein 0.0082 0.0249 0.2043
Mycobacterium ulcerans oxidoreductase 0.0024 0.0031 0.0027
Loa Loa (eye worm) animal heme peroxidase 0.0038 0.0084 0.0666
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0359 0.1302 0.128
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0024 0.0031 0.0556
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0359 0.1302 1
Onchocerca volvulus Chorion peroxidase homolog 0.0038 0.0084 0.2897
Onchocerca volvulus Peroxidasin homolog 0.0038 0.0084 0.2897
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0024 0.0031 0.0178
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.0249 0.2043
Brugia malayi Dihydrofolate reductase 0.0334 0.1205 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0026 0.0026
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0095 0.0678
Trypanosoma brucei pteridine reductase 1 0.0024 0.0031 0.0556
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0024 0.0031 0.0027
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Leishmania major cysteinyl-tRNA synthetase, putative 0.0039 0.0085 0.1864
Leishmania major cytochrome p450-like protein 0.0022 0.0023 0.0365
Onchocerca volvulus 0.0024 0.0031 0.025
Brugia malayi cytochrome c oxidase subunit I 0.0031 0.0056 0.0405
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0359 0.1302 0.9726
Loa Loa (eye worm) animal heme peroxidase 0.0038 0.0084 0.0666
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0071 0.0528
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0128 0.0423 0.3227
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0039 0.0085 0.0598
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0024 0.0031 0.0027
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0026 0.0435
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0359 0.1302 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0082 0.0606
Loa Loa (eye worm) retinol dehydrogenase 12 0.0024 0.0031 0.0225
Giardia lamblia Cysteinyl-tRNA synthetase 0.0039 0.0085 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0128 0.0423 0.3206
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Brugia malayi Peroxidasin 0.0038 0.0084 0.0635
Echinococcus granulosus peroxidasin 0.0038 0.0084 0.0635
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0039 0.0085 1
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0024 0.0031 0.0027
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027
Schistosoma mansoni cytochrome c oxidase subunit III 0.0027 0.0041 0.0277
Loa Loa (eye worm) cytochrome c oxidase subunit I 0.0031 0.0056 0.0437
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0249 0.2016
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0008 0.0004
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0039 0.0085 0.0081
Schistosoma mansoni hypothetical protein 0.0165 0.0563 0.4636
Brugia malayi dihydrofolate reductase family protein 0.0334 0.1205 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0095 0.0678
Plasmodium falciparum enoyl-acyl carrier reductase 0.0359 0.1302 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0095 0.0678
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0061 0.0476
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0359 0.1302 0.1299
Echinococcus granulosus cytochrome c oxidase subunit 1 0.0076 0.0226 0.1821
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0026 0.2334
Echinococcus granulosus acetylcholinesterase 0.0082 0.0249 0.2016
Chlamydia trachomatis oxoacy-ACP reductase 0.0024 0.0031 0.0203
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0071 0.0528
Plasmodium vivax unspecified product 0.0069 0.0202 0.1529
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0039 0.0085 0.0646
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0249 0.2016
Onchocerca volvulus 0.0039 0.0085 0.2966
Entamoeba histolytica hypothetical protein 0.0035 0.0071 0.8176
Echinococcus granulosus geminin 0.0165 0.0563 0.4636
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Onchocerca volvulus Peroxidase homolog 0.0038 0.0084 0.2897
Entamoeba histolytica hypothetical protein 0.0035 0.0071 0.8176
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0026 0.0022
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0024 0.0031 0.0005
Plasmodium falciparum cysteine--tRNA ligase 0.0039 0.0085 0.0627
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0027
Onchocerca volvulus Cytochrome c oxidase subunit 3 0.0069 0.0202 0.8818
Onchocerca volvulus 0.0024 0.0031 0.025
Toxoplasma gondii cytochrome c oxidase subunit iii subfamily protein 0.0069 0.0202 0.1502
Loa Loa (eye worm) hypothetical protein 0.0038 0.0084 0.0666
Schistosoma mansoni peroxidasin 0.0038 0.0084 0.0635
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0039 0.0085 0.0678
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0024 0.0031 0.0031
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0026 0.0151
Plasmodium falciparum cysteine--tRNA ligase 0.0039 0.0085 0.0627
Onchocerca volvulus 0.0038 0.0084 0.2897
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0155 0.1231
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0024 0.0031 0.0193
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0024 0.0031 0.0178
Brugia malayi Animal haem peroxidase family protein 0.0038 0.0084 0.0635
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0024 0.0031 0.0027
Loa Loa (eye worm) carboxylesterase 0.0082 0.0249 0.2043
Mycobacterium ulcerans short chain dehydrogenase 0.0024 0.0031 0.0027

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.107 uM Inhibition of human AChE using acetylthiocholine iodide as substrate by Ellman's assay ChEMBL. 21397996
IC50 (binding) = 21 uM Inhibition of human BChE using butyrylthiocholine iodide as substrate by Ellman's method ChEMBL. 21397996
Inhibition (binding) Inhibition of human AChE-induced beta-amyloid (1-40) aggregation at 100 uM by thioflavin-T based fluorimetric assay ChEMBL. 21397996

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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