Detailed information for compound 1831857

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.591 | Formula: C32H29N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CC(=O)N1C/C(=C\c2ccccc2)/C(=O)[C@@]2(C1)[C@@H](CN([C@@]12C(=O)Nc2c1cccc2)C)c1ccccc1
  • InChi: 1S/C32H29N3O3/c1-3-28(36)35-19-24(18-22-12-6-4-7-13-22)29(37)31(21-35)26(23-14-8-5-9-15-23)20-34(2)32(31)25-16-10-11-17-27(25)33-30(32)38/h3-18,26H,1,19-21H2,2H3,(H,33,38)/b24-18+/t26-,31+,32+/m0/s1
  • InChiKey: LHISBHNARPPDIO-JKHBRONLSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Cholinesterase Starlite/ChEMBL References
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) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus 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
Echinococcus multilocularis acetylcholinesterase 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
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative 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
Brugia malayi Carboxylesterase family protein 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 carboxylesterase 5A 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 carboxylesterase 5A 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Cholinesterase   574 aa 590 aa 25.1 %
Brugia malayi Carboxylesterase family protein Cholinesterase   574 aa 538 aa 31.4 %
Onchocerca volvulus Galectin homolog Cholinesterase   574 aa 531 aa 39.7 %
Brugia malayi Carboxylesterase family protein acetylcholinesterase (Yt blood group) 614 aa 510 aa 26.5 %
Brugia malayi Carboxylesterase family protein Cholinesterase   574 aa 472 aa 27.5 %
Schistosoma mansoni gliotactin Cholinesterase   574 aa 587 aa 27.9 %
Onchocerca volvulus Cholinesterase   574 aa 586 aa 27.1 %
Onchocerca volvulus Cholinesterase   574 aa 578 aa 25.3 %
Onchocerca volvulus Cholinesterase   574 aa 551 aa 29.9 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Cholinesterase   574 aa 554 aa 36.1 %
Brugia malayi Carboxylesterase family protein Cholinesterase   574 aa 549 aa 29.5 %
Echinococcus granulosus BC026374 protein S09 family Cholinesterase   574 aa 642 aa 34.4 %
Onchocerca volvulus Putative nuclear protein Cholinesterase   574 aa 572 aa 40.9 %
Loa Loa (eye worm) hypothetical protein Cholinesterase   574 aa 573 aa 26.4 %
Schistosoma japonicum ko:K01050 cholinesterase [EC3.1.1.8], putative Cholinesterase   574 aa 577 aa 36.9 %
Echinococcus granulosus neuroligin Cholinesterase   574 aa 492 aa 24.4 %
Echinococcus multilocularis neuroligin Cholinesterase   574 aa 493 aa 26.2 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Cholinesterase   574 aa 560 aa 29.3 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Cholinesterase   574 aa 547 aa 29.4 %
Echinococcus multilocularis BC026374 protein (S09 family) Cholinesterase   574 aa 636 aa 34.9 %
Loa Loa (eye worm) hypothetical protein Cholinesterase   574 aa 520 aa 27.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0087 0.1865 0.4202
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0066 0.137 0.0975
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0614 0.1416
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2287 0.5319
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2287 0.5319
Brugia malayi Carboxylesterase family protein 0.0028 0.0437 0.0705
Mycobacterium ulcerans hypothetical protein 0.0066 0.137 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0906 0.1853
Leishmania major hypothetical protein, conserved 0.0066 0.137 0.2989
Echinococcus granulosus BC026374 protein S09 family 0.0028 0.0437 0.0352
Mycobacterium leprae Probable lipase LipE 0.0066 0.137 0.5
Mycobacterium tuberculosis Conserved protein 0.0066 0.137 0.0975
Loa Loa (eye worm) hypothetical protein 0.001 0.0008 0.0014
Loa Loa (eye worm) hypothetical protein 0.0022 0.0307 0.0556
Trichomonas vaginalis esterase, putative 0.0066 0.137 0.3178
Trichomonas vaginalis spcc417.12 protein, putative 0.0028 0.0437 0.1002
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.074 0.1708
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0037 0.0674 0.1285
Onchocerca volvulus 0.0187 0.4292 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0066 0.137 0.3178
Echinococcus multilocularis para nitrobenzyl esterase 0.0028 0.0437 0.0352
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0906 0.164
Onchocerca volvulus 0.0028 0.0437 0.0251
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0024 0.0338 0.0231
Schistosoma mansoni importin beta-1 0.0022 0.0307 0.0293
Loa Loa (eye worm) hypothetical protein 0.0087 0.1865 0.3376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0383 0.0874
Trypanosoma brucei polo-like protein kinase 0.0104 0.2287 0.5236
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0087 0.1865 0.4202
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0066 0.137 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.2287 0.2615
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0184 0.4232 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0016 0.0165 0.0037
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0016 0.0165 0.0037
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0906 0.3492
Echinococcus granulosus carbonic anhydrase II 0.0184 0.4232 0.4994
Schistosoma mansoni gliotactin 0.0028 0.0437 0.0535
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0066 0.137 0.0975
Mycobacterium tuberculosis Probable lipase LipD 0.0066 0.137 0.0975
Brugia malayi Pre-SET motif family protein 0.0164 0.3743 0.8804
Loa Loa (eye worm) hypothetical protein 0.0087 0.1865 0.3376
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.2791 0.5053
Loa Loa (eye worm) carboxylesterase 0.0164 0.3729 0.6751
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0024 0.0338 0.0351
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0437 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0382 0.0872
Schistosoma mansoni ran 0.0016 0.0165 0.0028
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.0205 0.0461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0037 0.0655 0.1237
Brugia malayi Carboxylesterase family protein 0.0028 0.0437 0.0705
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0906 0.0925
Onchocerca volvulus 0.0028 0.0437 0.0251
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0087 0.1865 0.3376
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.2287 0.3977
Plasmodium falciparum carbonic anhydrase 0.0087 0.1865 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0184 0.4232 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0024 0.0338 0.0231
Schistosoma mansoni BC026374 protein (S09 family) 0.0028 0.0437 0.0535
Trichomonas vaginalis penicillin-binding protein, putative 0.0066 0.137 0.3178
Schistosoma mansoni carbonic anhydrase-related 0.0087 0.1865 0.3192
Echinococcus multilocularis tumor protein p63 0.0354 0.8324 1
Loa Loa (eye worm) carboxylesterase 0.0028 0.0437 0.0792
Mycobacterium tuberculosis Probable lipase LipE 0.0066 0.137 0.0975
Loa Loa (eye worm) hypothetical protein 0.0066 0.137 0.248
Brugia malayi Pre-SET motif family protein 0.0024 0.0338 0.0462
Giardia lamblia Kinase, PLK 0.0104 0.2287 1
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.2791 0.5053
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0024 0.0338 0.1779
Mycobacterium tuberculosis Probable hydrolase 0.0066 0.137 0.0975
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.2287 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0437 0.0792
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0655 0.0939
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0383 0.0874
Schistosoma mansoni ran 0.0016 0.0165 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0906 0.2096
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0066 0.137 0.227
Onchocerca volvulus 0.0028 0.0437 0.0251
Loa Loa (eye worm) hypothetical protein 0.0024 0.0338 0.0612
Schistosoma mansoni carbonic anhydrase-related 0.0087 0.1865 0.3192
Schistosoma mansoni acetylcholinesterase 0.0028 0.0437 0.0535
Loa Loa (eye worm) hypothetical protein 0.0052 0.102 0.1847
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0306 0.0383
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0906 0.1853
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0338 0.0351
Trichomonas vaginalis D-aminoacylase, putative 0.0066 0.137 0.3178
Brugia malayi beta-lactamase family protein 0.0066 0.137 0.2989
Toxoplasma gondii hypothetical protein 0.0087 0.1865 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0037 0.0655 0.1185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0073 0.0153
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0184 0.4232 0.7596
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2287 0.5236
Loa Loa (eye worm) hypothetical protein 0.0087 0.1865 0.3376
Echinococcus multilocularis importin subunit beta 1 0.0022 0.0307 0.0193
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0655 0.0939
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2287 0.5319
Loa Loa (eye worm) beta-lactamase 0.0066 0.137 0.248
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0437 0.0535
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0448 0.1027
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0028 0.0437 0.0352
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0655 0.0618
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.2287 0.414
Loa Loa (eye worm) carbonic anhydrase 3 0.0184 0.4232 0.7661
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0238 0.5524 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0184 0.4232 1
Brugia malayi RNA, U transporter 1 0.0063 0.1301 0.2821
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0906 0.0925
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0016 0.0165 0.0299
Echinococcus multilocularis carbonic anhydrase 0.0087 0.1865 0.2098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.015 0.0331
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.015 0.0271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0037 0.0655 0.0939
Trichomonas vaginalis importin beta-1, putative 0.0018 0.0205 0.0461
Loa Loa (eye worm) hypothetical protein 0.0164 0.3729 0.6751
Echinococcus multilocularis BC026374 protein (S09 family) 0.0028 0.0437 0.0352
Loa Loa (eye worm) hypothetical protein 0.0028 0.0437 0.0792
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0338 0.0351
Mycobacterium leprae conserved hypothetical protein 0.0066 0.137 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0437 0.0792
Loa Loa (eye worm) acetylcholinesterase 1 0.0164 0.3729 0.6751
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2287 0.5236
Echinococcus granulosus neuroligin 0.0028 0.0437 0.0352
Echinococcus granulosus beta LACTamase domain containing family member 0.0066 0.137 0.1492
Brugia malayi Importin beta-1 subunit 0.0022 0.0307 0.0386
Giardia lamblia GTOR 0.0047 0.0906 0.3492
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0383 0.0874
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.3729 0.6661
Brugia malayi beta-lactamase family protein 0.0066 0.137 0.2989
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0906 0.1853
Trypanosoma brucei importin beta-1 subunit, putative 0.0022 0.0307 0.0386
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.2287 0.4928
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0241 0.0223
Schistosoma mansoni neuroligin 3 (S09 family) 0.0028 0.0437 0.0535
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0066 0.137 0.2989
Brugia malayi beta-lactamase 0.0066 0.137 0.2989
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0906 0.1853
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0087 0.1865 0.4202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0906 0.2096
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0614 0.1416
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.0614 0.3266
Schistosoma mansoni hypothetical protein 0.0087 0.1865 0.3192
Trypanosoma cruzi importin beta-1 subunit, putative 0.0018 0.0205 0.0136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0673 0.1553
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2287 0.5319
Echinococcus multilocularis carboxylesterase 5A 0.0164 0.3729 0.4379
Mycobacterium tuberculosis Conserved protein 0.0066 0.137 0.0975
Entamoeba histolytica hypothetical protein 0.0018 0.0205 0.019
Schistosoma mansoni carbonic anhydrase 0.0087 0.1865 0.3192
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.2287 0.5236
Trichomonas vaginalis ran, putative 0.0016 0.0165 0.0366
Mycobacterium ulcerans esterase/lipase LipP 0.0066 0.137 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.137 0.248
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0016 0.0165 0.0037
Loa Loa (eye worm) hypothetical protein 0.0066 0.137 0.248
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0024 0.0338 0.0351
Echinococcus granulosus snurportin 1 0.0238 0.5524 0.6574
Brugia malayi Carboxylesterase family protein 0.0028 0.0437 0.0705
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0037 0.0655 0.0618
Plasmodium vivax importin-beta 2, putative 0.0022 0.0307 0.1182
Trichomonas vaginalis D-aminoacylase, putative 0.0066 0.137 0.3178
Echinococcus multilocularis carbonic anhydrase II 0.0184 0.4232 0.4994
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0087 0.1865 0.4202
Onchocerca volvulus 0.0028 0.0437 0.0251
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0028 0.0437 0.0535
Echinococcus multilocularis carbonic anhydrase 0.0087 0.1865 0.2098
Brugia malayi Carboxylesterase family protein 0.0164 0.3729 0.8769
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.015 0.0331
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0673 0.1553
Brugia malayi Carboxylesterase family protein 0.0028 0.0437 0.0705
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.2287 0.2615
Mycobacterium tuberculosis Probable esterase LipL 0.0066 0.137 0.0975
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0016 0.0165 0.0845
Echinococcus granulosus para nitrobenzyl esterase 0.0028 0.0437 0.0352
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.2287 0.5236
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0906 0.2096
Mycobacterium ulcerans beta-lactamase 0.0066 0.137 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0184 0.4232 0.7596
Loa Loa (eye worm) hypothetical protein 0.0028 0.0437 0.0792
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0023 0.0317 0.0205
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0906 0.1853
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0016 0.0165 0.0019
Mycobacterium tuberculosis Conserved protein 0.0066 0.137 0.0975
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0448 0.1027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0673 0.1553
Trichomonas vaginalis set domain proteins, putative 0.0187 0.4292 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.3729 0.6751
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2287 0.5319
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.015 0.0331
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0673 0.1553
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0906 0.3492
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2287 0.5319
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0028 0.0437 0.1002
Plasmodium falciparum importin beta, putative 0.0022 0.0307 0.0837
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0906 0.1853
Onchocerca volvulus 0.0052 0.102 0.1725
Onchocerca volvulus 0.0028 0.0437 0.0251
Onchocerca volvulus 0.0066 0.137 0.2608
Trypanosoma brucei importin beta-1 subunit, putative 0.0022 0.0307 0.0386
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0184 0.4232 1
Echinococcus granulosus tumor protein p63 0.0354 0.8324 1
Echinococcus granulosus importin subunit beta 1 0.0022 0.0307 0.0193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0448 0.1027
Loa Loa (eye worm) hypothetical protein 0.0066 0.137 0.248
Toxoplasma gondii HEAT repeat-containing protein 0.0022 0.0307 0.1612
Loa Loa (eye worm) carboxylesterase 0.0028 0.0437 0.0792
Trypanosoma brucei carbonic anhydrase-like protein 0.0184 0.4232 1
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.1015 0.2351
Brugia malayi Carboxylesterase family protein 0.0164 0.3729 0.8769
Onchocerca volvulus 0.0066 0.137 0.2608
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.137 0.2989
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0441 0.1012
Echinococcus granulosus histone lysine methyltransferase setb 0.0024 0.0338 0.0231
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0614 0.1416
Leishmania major importin beta-1 subunit, putative 0.0018 0.0205 0.0136
Plasmodium vivax hypothetical protein, conserved 0.0066 0.137 1
Echinococcus multilocularis carbonic anhydrase 0.0087 0.1865 0.2098
Echinococcus granulosus carbonic anhydrase 0.0087 0.1865 0.2098
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.102 0.162
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.0205 0.0461
Loa Loa (eye worm) hypothetical protein 0.0028 0.0437 0.0792
Echinococcus granulosus acetylcholinesterase 0.0164 0.3729 0.4379
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0507 0.1164
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0016 0.0165 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0382 0.0872
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0614 0.1416
Echinococcus granulosus carboxylesterase 5A 0.0164 0.3729 0.4379
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.137 0.2989
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0614 0.1416
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0037 0.0674 0.1285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0531 0.1222
Echinococcus multilocularis neuroligin 0.0028 0.0437 0.0352
Echinococcus multilocularis snurportin 1 0.0238 0.5524 0.6574
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.1015 0.2351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0614 0.1416
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0673 0.1553
Echinococcus granulosus carbonic anhydrase 0.0087 0.1865 0.2098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0614 0.1416
Trichomonas vaginalis D-aminoacylase, putative 0.0066 0.137 0.3178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.015 0.0331
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0066 0.137 0.248
Plasmodium vivax SET domain protein, putative 0.0024 0.0338 0.1439
Onchocerca volvulus 0.0066 0.137 0.2608
Brugia malayi hypothetical protein 0.0028 0.0437 0.0705
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0164 0.3743 0.6777
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0066 0.137 0.227
Brugia malayi MH2 domain containing protein 0.0125 0.2791 0.6471
Echinococcus multilocularis beta LACTamase domain containing family member 0.0066 0.137 0.1492
Schistosoma mansoni kinase 0.0053 0.1048 0.1672
Echinococcus granulosus acetylcholinesterase 0.0164 0.3729 0.4379
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0066 0.137 0.0975
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.015 0.0331
Loa Loa (eye worm) hypothetical protein 0.0066 0.137 0.248
Schistosoma mansoni carbonic anhydrase-related 0.0087 0.1865 0.3192
Loa Loa (eye worm) hypothetical protein 0.0066 0.137 0.248
Echinococcus granulosus GTP binding nuclear protein Ran 0.0016 0.0165 0.0019
Toxoplasma gondii ABC1 family protein 0.0066 0.137 0.7333
Trypanosoma brucei hypothetical protein, conserved 0.0066 0.137 0.2989
Mycobacterium ulcerans lipase LipD 0.0066 0.137 1
Leishmania major GTP-binding protein, putative 0.0016 0.0165 0.0037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0655 0.0618
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0906 0.1407
Leishmania major carbonic anhydrase-like protein 0.0184 0.4232 1
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3729 0.4379
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0087 0.1865 0.4202
Loa Loa (eye worm) hypothetical protein 0.0028 0.0437 0.0792
Trypanosoma cruzi target of rapamycin kinase 3 0.0037 0.0674 0.1285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0383 0.0874
Echinococcus multilocularis acetylcholinesterase 0.0164 0.3729 0.4379
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0037 0.0655 0.0618
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0441 0.1012
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2287 0.5319
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0028 0.0437 0.0352
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0906 0.1853
Echinococcus granulosus carbonic anhydrase 0.0087 0.1865 0.2098
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0382 0.0872
Schistosoma mansoni hypothetical protein 0.0238 0.5524 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0437 0.0792
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0184 0.4232 0.7661

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.52 uM Inhibition of equine serum BChE using S-butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's method ChEMBL. 24461561
IC50 (binding) = 8.74 uM Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method ChEMBL. 24461561

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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