Detailed information for compound 928042

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 591.82 | Formula: C37H53NO5
  • H donors: 4 H acceptors: 5 LogP: 6.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@]1(C)[C@@H](O)[C@H](O)C[C@]2([C@H]1CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)Nc1ccc(cc1)C)C)C
  • InChi: 1S/C37H53NO5/c1-21-8-10-24(11-9-21)38-32(43)37-15-12-22(2)23(3)29(37)25-18-26(40)30-33(4)19-27(41)31(42)34(5,20-39)28(33)13-14-36(30,7)35(25,6)16-17-37/h8-11,18,22-23,27-31,39,41-42H,12-17,19-20H2,1-7H3,(H,38,43)/t22-,23+,27-,28-,29+,30-,31+,33+,34+,35-,36-,37+/m1/s1
  • InChiKey: RCQQLBKTURGHQV-FPEVDAAFSA-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
Mycobacterium ulcerans esterase LipC 0.0042 0.0137 0.0087
Mycobacterium ulcerans lipase LipH 0.0042 0.0137 0.0087
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0042 0.0137 0.0244
Loa Loa (eye worm) matrixin family protein 0.0057 0.02 0.02
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0142 0.0547 0.0539
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0027 0.0019
Mycobacterium tuberculosis Probable lipase LipH 0.0042 0.0137 0.0244
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0064 0.0605
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0171 0.0663 0.3094
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.002 0.0047 0.5
Mycobacterium ulcerans membrane-bound esterase LipM 0.0042 0.0137 0.0087
Echinococcus multilocularis acetylcholinesterase 0.0522 0.2097 0.2091
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0064 0.0605
Loa Loa (eye worm) hypothetical protein 0.0522 0.2097 0.2097
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0084
Echinococcus multilocularis protoporphyrinogen oxidase 0.0085 0.0315 0.0307
Trichomonas vaginalis alpha-glucosidase, putative 0.0064 0.0227 0.6433
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0022 0.0055 0.029
Brugia malayi isocitrate dehydrogenase 0.0015 0.0027 0.0026
Echinococcus granulosus importin subunit beta 1 0.0027 0.0076 0.0068
Mycobacterium ulcerans lipase LipU 0.0042 0.0137 0.0087
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.016 0.067
Loa Loa (eye worm) acetylcholinesterase 1 0.0522 0.2097 0.2097
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0137 0.3214
Onchocerca volvulus Matrilysin homolog 0.0026 0.0072 0.014
Brugia malayi Importin beta-1 subunit 0.0027 0.0076 0.0263
Loa Loa (eye worm) ammd protein 0.0042 0.0137 0.0137
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0064 0.0605
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0027 0.0027
Echinococcus granulosus GTP binding nuclear protein Ran 0.002 0.0047 0.0039
Leishmania major glycosyl hydrolase-like protein 0.0024 0.0064 0.1297
Brugia malayi Immunoglobulin I-set domain containing protein 0.0084 0.0308 0.1381
Loa Loa (eye worm) hypothetical protein 0.0085 0.0315 0.0315
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.016 0.0152
Echinococcus multilocularis 0.0085 0.0315 0.0307
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0142 0.0547 0.0539
Loa Loa (eye worm) hypothetical protein 0.0085 0.0315 0.0315
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2459 1 1
Mycobacterium leprae Possible lipase LipU 0.0042 0.0137 0.1913
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0088 0.0327 0.0319
Mycobacterium ulcerans lipase LipU 0.0042 0.0137 0.0087
Schistosoma mansoni hypothetical protein 0.0013 0.0021 0.002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.016 0.016
Toxoplasma gondii histone lysine-specific demethylase 0.0085 0.0315 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0287 0.1139 0.1132
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2459 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0088 0.0327 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0064 0.0227 0.6433
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.002 0.0047 0.0047
Trichomonas vaginalis importin beta-1, putative 0.0022 0.0055 0.029
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0119 0.0111
Schistosoma mansoni hypothetical protein 0.0013 0.0021 0.002
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0085 0.0315 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0064 0.0227 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.016 0.0159
Trichomonas vaginalis alpha-glucosidase, putative 0.0064 0.0227 0.6433
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0088 0.0327 0.0326
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0064 0.0605
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0027 0.0026
Brugia malayi SWIRM domain containing protein 0.0085 0.0315 0.1414
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0119 0.0118
Onchocerca volvulus Matrilysin homolog 0.0057 0.02 0.2342
Trichomonas vaginalis maltase-glucoamylase, putative 0.0024 0.0064 0.0605
Leishmania major alpha glucosidase II subunit, putative 0.0064 0.0227 0.6962
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0085 0.0315 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0072 0.0072
Brugia malayi hypothetical protein 0.0085 0.0315 0.1414
Loa Loa (eye worm) carboxylesterase 0.0088 0.0327 0.0327
Onchocerca volvulus 0.0036 0.0116 0.0896
Schistosoma mansoni acetylcholinesterase 0.0088 0.0327 0.0326
Trichomonas vaginalis Esterase, putative 0.0042 0.0137 0.3214
Loa Loa (eye worm) hypothetical protein 0.0031 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0024 0.0064 0.0064
Loa Loa (eye worm) carboxylesterase 0.0088 0.0327 0.0327
Mycobacterium tuberculosis Possible oxidoreductase 0.0085 0.0315 0.0636
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0561 0.0553
Trichomonas vaginalis Esterase, putative 0.0042 0.0137 0.3214
Brugia malayi Hemopexin family protein 0.0036 0.0116 0.0457
Trichomonas vaginalis spcc417.12 protein, putative 0.0088 0.0327 1
Echinococcus multilocularis muscleblind protein 0.0146 0.0561 0.0553
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.0064 0.0605
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0042 0.0137 0.0087
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0042 0.0137 0.0244
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0022 0.0055 0.029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0119 0.0111
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0064 0.0227 0.6433
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.002 0.0047 0.0709
Onchocerca volvulus 0.0166 0.0645 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0064 0.0227 0.6433
Mycobacterium ulcerans hypothetical protein 0.0042 0.0137 0.0087
Echinococcus multilocularis hormone sensitive lipase 0.2459 1 1
Brugia malayi hypothetical protein 0.0037 0.0119 0.0472
Brugia malayi Muscleblind-like protein 0.0146 0.0561 0.2601
Brugia malayi Matrixin family protein 0.0062 0.0221 0.0963
Trypanosoma brucei importin beta-1 subunit, putative 0.0027 0.0076 0.2448
Echinococcus multilocularis snurportin 1 0.0284 0.1126 0.1119
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0042 0.0137 0.0244
Echinococcus granulosus neutral alpha glucosidase AB 0.0064 0.0227 0.0219
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0042 0.0137 0.0244
Echinococcus multilocularis carboxylesterase 5A 0.0522 0.2097 0.2091
Mycobacterium tuberculosis Probable esterase LipC 0.0042 0.0137 0.0244
Echinococcus multilocularis lysosomal alpha glucosidase 0.0287 0.1139 0.1132
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0088 0.0327 0.0326
Brugia malayi Carboxylesterase family protein 0.0088 0.0327 0.1473
Brugia malayi Carboxylesterase family protein 0.0088 0.0327 0.1473
Brugia malayi hypothetical protein 0.0088 0.0327 0.1473
Loa Loa (eye worm) hypothetical protein 0.0088 0.0327 0.0327
Onchocerca volvulus Tyrosine kinase homolog 0.0078 0.0286 0.3815
Loa Loa (eye worm) matrixin family protein 0.0062 0.0221 0.0221
Echinococcus granulosus lysine specific histone demethylase 1A 0.0085 0.0315 0.0307
Plasmodium falciparum importin beta, putative 0.0027 0.0076 0.1704
Echinococcus granulosus BC026374 protein S09 family 0.0088 0.0327 0.0319
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.016 0.0152
Echinococcus granulosus acetylcholinesterase 0.0522 0.2097 0.2091
Loa Loa (eye worm) aryl-acylamidase 0.0042 0.0137 0.0137
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2459 1 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.0327 0.0327
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0064 0.0227 0.6962
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.0227 0.6962
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0024 0.0064 0.094
Mycobacterium ulcerans dehydrogenase 0.0085 0.0315 0.0457
Brugia malayi aryl-acylamidase 0.0042 0.0137 0.0558
Brugia malayi Matrixin family protein 0.0026 0.0072 0.0245
Leishmania major hypothetical protein, conserved 0.0042 0.0137 0.3834
Onchocerca volvulus 0.0088 0.0327 0.4528
Schistosoma mansoni alpha-glucosidase 0.0247 0.0976 0.0975
Schistosoma mansoni BC026374 protein (S09 family) 0.0088 0.0327 0.0326
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.016 0.0159
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0042 0.0137 0.3834
Entamoeba histolytica hypothetical protein 0.0037 0.0119 0.3999
Leishmania major UDP-galactopyranose mutase 0.0085 0.0315 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0064 0.0227 1
Mycobacterium ulcerans esterase/lipase 0.0042 0.0137 0.0087
Plasmodium vivax hypothetical protein, conserved 0.0085 0.0315 1
Echinococcus multilocularis neuroligin 0.0088 0.0327 0.0319
Brugia malayi RNA, U transporter 1 0.0076 0.0276 0.1227
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0027 0.0019
Loa Loa (eye worm) hypothetical protein 0.0146 0.0561 0.0561
Loa Loa (eye worm) carboxylesterase 0.0522 0.2097 0.2097
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0042 0.0137 0.3834
Entamoeba histolytica hypothetical protein 0.0037 0.0119 0.3999
Brugia malayi Matrixin family protein 0.0026 0.0072 0.0245
Mycobacterium ulcerans carboxylesterase, LipT 0.0088 0.0327 0.0483
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0026 0.0072 0.0071
Schistosoma mansoni hypothetical protein 0.0029 0.0084 0.0083
Echinococcus granulosus snurportin 1 0.0284 0.1126 0.1119
Mycobacterium tuberculosis Carboxylesterase LipT 0.0088 0.0327 0.0663
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.0064 0.0605
Loa Loa (eye worm) hypothetical protein 0.0085 0.0315 0.0315
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0064 0.0605
Loa Loa (eye worm) hypothetical protein 0.0171 0.0663 0.0663
Mycobacterium ulcerans lipase LipI 0.0042 0.0137 0.0087
Onchocerca volvulus 0.0088 0.0327 0.4528
Schistosoma mansoni gliotactin 0.0088 0.0327 0.0326
Loa Loa (eye worm) hypothetical protein 0.0026 0.0072 0.0072
Entamoeba histolytica hypothetical protein 0.0037 0.0119 0.3999
Entamoeba histolytica hypothetical protein 0.0022 0.0055 0.0452
Plasmodium vivax hypothetical protein, conserved 0.0085 0.0315 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0088 0.0327 0.0663
Onchocerca volvulus 0.0026 0.0072 0.014
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0522 0.2097 0.2096
Loa Loa (eye worm) hypothetical protein 0.0088 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.2459 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0064 0.0227 0.0219
Entamoeba histolytica hypothetical protein 0.0037 0.0119 0.3999
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.002 0.0047 0.0709
Leishmania major GTP-binding protein, putative 0.002 0.0047 0.0709
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0013 0.0021 0.0013
Loa Loa (eye worm) matrix metalloproteinase 0.0026 0.0072 0.0072
Mycobacterium tuberculosis Probable esterase LipO 0.0042 0.0137 0.0244
Onchocerca volvulus 0.0088 0.0327 0.4528
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0094 0.0349 0.0341
Trichomonas vaginalis Esterase, putative 0.0042 0.0137 0.3214
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0042 0.0137 0.3834
Onchocerca volvulus Matrix metalloproteinase homolog 0.0057 0.02 0.2342
Trichomonas vaginalis alpha-glucosidase, putative 0.0064 0.0227 0.6433
Brugia malayi Calcitonin receptor-like protein seb-1 0.0042 0.0138 0.0562
Schistosoma mansoni ran 0.002 0.0047 0.0046
Trypanosoma cruzi UDP-galactopyranose mutase 0.0085 0.0315 1
Echinococcus granulosus acetylcholinesterase 0.0522 0.2097 0.2091
Echinococcus granulosus para nitrobenzyl esterase 0.0088 0.0327 0.0319
Loa Loa (eye worm) hypothetical protein 0.0088 0.0327 0.0327
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0085 0.0315 0.0307
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.016 0.0152
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0085 0.0315 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.1124 0.4554 1
Mycobacterium ulcerans lipase/esterase LipN 0.0042 0.0137 0.0087
Loa Loa (eye worm) hypothetical protein 0.0027 0.0076 0.0076
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0088 0.0327 0.0326
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0024 0.0064 0.1297
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.002 0.0047 0.0125
Schistosoma mansoni neuroligin 3 (S09 family) 0.0088 0.0327 0.0326
Loa Loa (eye worm) latrophilin receptor protein 2 0.0013 0.0021 0.0021
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0085 0.0315 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0088 0.0327 0.0319
Echinococcus granulosus lysosomal alpha glucosidase 0.0287 0.1139 0.1132
Schistosoma mansoni hypothetical protein 0.0036 0.0116 0.0115
Schistosoma mansoni vesicular amine transporter 0.001 0.0007 0.0006
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0085 0.0315 0.0457
Trypanosoma brucei glucosidase, putative 0.0064 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0072 0.0072
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0748 0.3021 0.3015
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0084 0.0308 0.0308
Mycobacterium ulcerans carboxylesterase LipQ 0.0042 0.0137 0.0087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.016 0.0152
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0085 0.0315 0.0313
Mycobacterium tuberculosis Conserved hypothetical protein 0.0085 0.0315 0.0636
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0088 0.0327 0.0319
Trypanosoma brucei glycosyl hydrolase-like protein 0.0024 0.0064 0.1862
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1209 0.4902 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0085 0.0315 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0027 0.0025
Loa Loa (eye worm) hypothetical protein 0.0088 0.0327 0.0327
Echinococcus granulosus lysine specific histone demethylase 1A 0.0085 0.0315 0.0307
Mycobacterium ulcerans esterase LipO 0.0042 0.0137 0.0087
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.016 0.0159
Echinococcus multilocularis GTP binding nuclear protein Ran 0.002 0.0047 0.0039
Brugia malayi Matrixin family protein 0.0026 0.0072 0.0245
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0024 0.0064 0.1297
Schistosoma mansoni amine oxidase 0.0085 0.0315 0.0313
Loa Loa (eye worm) hypothetical protein 0.0088 0.0327 0.0327
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0085 0.0315 1
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0031 0.0095 0.0151
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.0227 0.6962
Trypanosoma brucei importin beta-1 subunit, putative 0.0027 0.0076 0.2448
Loa Loa (eye worm) hypothetical protein 0.0013 0.0021 0.0021
Echinococcus multilocularis importin subunit beta 1 0.0027 0.0076 0.0068
Echinococcus multilocularis GPCR, family 2 0.0013 0.0021 0.0013
Plasmodium vivax importin-beta 2, putative 0.0027 0.0076 0.1704
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0064 0.0227 0.6433
Onchocerca volvulus 0.0076 0.0276 0.365
Schistosoma mansoni hypothetical protein 0.0037 0.0119 0.0118
Echinococcus multilocularis acetylcholinesterase 0.0522 0.2097 0.2091
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0064 0.0227 0.0227
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0042 0.0137 0.0136
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0094 0.0349 0.0341
Onchocerca volvulus 0.0088 0.0327 0.4528
Chlamydia trachomatis protoporphyrinogen oxidase 0.0085 0.0315 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0287 0.1139 0.1139
Brugia malayi Glycosyl hydrolases family 31 protein 0.0287 0.1139 0.5384
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0027 0.0019
Onchocerca volvulus 0.0085 0.0315 0.4315
Schistosoma mansoni ran 0.002 0.0047 0.0046
Brugia malayi Carboxylesterase family protein 0.0522 0.2097 1
Brugia malayi Carboxylesterase family protein 0.0088 0.0327 0.1473
Brugia malayi Matrixin family protein 0.0026 0.0072 0.0245
Trypanosoma cruzi importin beta-1 subunit, putative 0.0022 0.0055 0.0991
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0284 0.1126 0.1126
Schistosoma mansoni alpha-glucosidase 0.0247 0.0976 0.0975
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0085 0.0315 0.0313
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0088 0.0327 0.0663
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0042 0.0137 0.0244
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0084 0.0302
Schistosoma mansoni importin beta-1 0.0027 0.0076 0.0074
Mycobacterium ulcerans oxidoreductase 0.0085 0.0315 0.0457
Toxoplasma gondii HEAT repeat-containing protein 0.0027 0.0076 0.1704
Mycobacterium tuberculosis Possible lipase LipU 0.0042 0.0137 0.0244
Schistosoma mansoni hypothetical protein 0.0013 0.0021 0.002
Brugia malayi Glycosyl hydrolases family 31 protein 0.0064 0.0227 0.0992
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.002 0.0047 0.0709
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0042 0.0138 0.0138
Brugia malayi Glycosyl hydrolases family 31 protein 0.0024 0.0064 0.0206
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0027 0.0019
Schistosoma mansoni alpha glucosidase 0.0064 0.0227 0.0226
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0042 0.0137 0.0244
Onchocerca volvulus 0.0042 0.0137 0.1258
Leishmania major ecotin, putative 0.0042 0.0137 0.3834
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0027 0.0019
Trichomonas vaginalis alpha-glucosidase, putative 0.0064 0.0227 0.6433
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0085 0.0315 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0064 0.0227 0.6433
Echinococcus granulosus muscleblind protein 0.0146 0.0561 0.0553
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0042 0.0137 0.3834
Mycobacterium ulcerans monoamine oxidase 0.0085 0.0315 0.0457
Mycobacterium tuberculosis Probable esterase LipM 0.0042 0.0137 0.0244
Echinococcus granulosus carboxylesterase 5A 0.0522 0.2097 0.2091
Schistosoma mansoni hypothetical protein 0.0284 0.1126 0.1125
Echinococcus multilocularis BC026374 protein (S09 family) 0.0088 0.0327 0.0319
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0031 0.0095 0.0356
Loa Loa (eye worm) hypothetical protein 0.0522 0.2097 0.2097
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0027 0.0019
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.1209 0.4902 1
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0042 0.0137 0.3834
Echinococcus granulosus GPCR family 2 0.0013 0.0021 0.0013
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.002 0.0047 0.1018
Loa Loa (eye worm) hypothetical protein 0.0085 0.0315 0.0315
Brugia malayi Carboxylesterase family protein 0.0088 0.0327 0.1473
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.002 0.0047 0.0709
Mycobacterium tuberculosis Possible esterase LipW 0.0042 0.0137 0.0244
Loa Loa (eye worm) hypothetical protein 0.0085 0.0315 0.0315
Schistosoma mansoni hypothetical protein 0.0013 0.0021 0.002
Mycobacterium ulcerans esterase LipW 0.0042 0.0137 0.0087
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.002 0.0047 0.0709
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0042 0.0137 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.0315 0.0315
Brugia malayi amine oxidase, flavin-containing family protein 0.0085 0.0315 0.1414
Schistosoma mansoni amine oxidase 0.0085 0.0315 0.0313
Echinococcus granulosus neuroligin 0.0088 0.0327 0.0319
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0042 0.0137 0.3834
Loa Loa (eye worm) hypothetical protein 0.0146 0.0561 0.0561
Loa Loa (eye worm) hypothetical protein 0.0088 0.0327 0.0327
Onchocerca volvulus 0.0088 0.0327 0.4528
Leishmania major importin beta-1 subunit, putative 0.0022 0.0055 0.0991
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0013 0.0021 0.0013
Plasmodium falciparum protoporphyrinogen oxidase 0.0085 0.0315 1
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0042 0.0137 0.5506
Schistosoma mansoni cell adhesion molecule 0.0009 0.0003 0.0001
Brugia malayi Carboxylesterase family protein 0.0522 0.2097 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 14.61 uM Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay ChEMBL. 25151580
IC50 (functional) = 30.16 uM Cytotoxicity against human NCI-H460 cells after 48 hrs by MTT assay ChEMBL. 25151580

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25151580

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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