Detailed information for compound 316634

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 220.72 | Formula: C9H19ClN3O-
  • H donors: 2 H acceptors: 1 LogP: 1.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC([C@H](C(=O)N1CCCN1)N)C.[Cl-]
  • InChi: 1S/C9H19N3O.ClH/c1-3-7(2)8(10)9(13)12-6-4-5-11-12;/h7-8,11H,3-6,10H2,1-2H3;1H/p-1/t7?,8-;/m0./s1
  • InChiKey: SSISZZPMSVIMHE-MTICXXPYSA-M  


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 fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0107 0.0326 0.1424
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.0117
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0066 0.0111
Plasmodium vivax hypothetical protein, conserved 0.0051 0.0107 0.1704
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0326 0.0796
Schistosoma mansoni hypothetical protein 0.0126 0.04 0.0987
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0044 0.0052
Echinococcus granulosus muscleblind protein 0.1069 0.4092 1
Plasmodium vivax SET domain protein, putative 0.0151 0.0499 1
Echinococcus granulosus AMP dependent ligase 0.0036 0.0047 0.0065
Mycobacterium ulcerans fatty acid synthase Fas 0.0113 0.0346 0.1529
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0113 0.0346 0.1529
Mycobacterium tuberculosis Probable hydrolase 0.0107 0.0326 0.1095
Echinococcus granulosus NADH dehydrogenase 0.0036 0.0047 0.0065
Schistosoma mansoni hypothetical protein 0.0058 0.0133 0.0304
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0055 0.0121 0.0289
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0358 0.1309 0.6451
Brugia malayi Pre-SET motif family protein 0.1053 0.4029 0.9846
Echinococcus multilocularis tar DNA binding protein 0.0194 0.0667 0.0648
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0151 0.0499 0.3453
Schistosoma mansoni cpg binding protein 0.0029 0.0021 0.0016
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0257 0.0913 0.3406
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0358 0.1309 0.3198
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.009 0.0258 0.1076
Echinococcus granulosus chromobox protein 1 0.0074 0.0194 0.0425
Echinococcus multilocularis expressed conserved protein 0.009 0.0256 0.0236
Brugia malayi AMP-binding enzyme family protein 0.0335 0.1216 0.2973
Leishmania major hypothetical protein, conserved 0.0107 0.0326 0.766
Mycobacterium tuberculosis Probable thioesterase TesA 0.0298 0.1075 0.4041
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.0439 0.0419
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0079 0.0141
Schistosoma mansoni tar DNA-binding protein 0.0194 0.0667 0.1672
Brugia malayi hypothetical protein 0.0148 0.0485 0.1185
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0194 0.0439
Loa Loa (eye worm) hypothetical protein 0.0055 0.0121 0.0261
Brugia malayi PHD-finger family protein 0.0031 0.0026 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0194 0.0667 0.1672
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0445 0.1041
Schistosoma mansoni hypothetical protein 0.0149 0.0487 0.1211
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0326 0.0797
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0126 0.04 0.0931
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0151 0.0499 0.0479
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.0279 0.5335
Schistosoma mansoni acyl carrier protein 0.0036 0.0047 0.0084
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.009 0.0258 0.0582
Onchocerca volvulus Fatty acid synthase homolog 0.0646 0.2435 0.528
Brugia malayi jmjC domain containing protein 0.0039 0.0058 0.0141
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.0667 0.1601
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0026 0.0013
Brugia malayi latrophilin 2 splice variant baaae 0.0273 0.0973 0.2379
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0358 0.1309 0.6451
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0107 0.0326 0.1095
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0126 0.04 0.038
Brugia malayi beta-lactamase family protein 0.0107 0.0326 0.0796
Mycobacterium ulcerans thioesterase 0.0298 0.1075 0.5255
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.0279 0.0682
Trichomonas vaginalis set domain proteins, putative 0.1198 0.4598 1
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0326 0.766
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0164 0.0546 0.1362
Mycobacterium ulcerans Type I modular polyketide synthase 0.0358 0.1309 0.6451
Entamoeba histolytica acyl-CoA synthetase, putative 0.0036 0.0047 0.0154
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0237 0.0833 0.402
Loa Loa (eye worm) hypothetical protein 0.0041 0.0067 0.0129
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0067 0.0115
Echinococcus multilocularis protein patched 0.0041 0.0066 0.0045
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0445 0.1102
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0535 0.2003 0.769
Brugia malayi hypothetical protein 0.0149 0.0487 0.1191
Toxoplasma gondii LsmAD domain-containing protein 0.013 0.0413 0.2824
Echinococcus granulosus geminin 0.1024 0.3919 0.9575
Mycobacterium tuberculosis Conserved protein 0.0107 0.0326 0.1095
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.009 0.0258 0.5834
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0036 0.0047 0.0116
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0154 0.0343
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0113 0.0346 0.1176
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0055 0.0121 0.0289
Onchocerca volvulus 0.0107 0.0326 0.0679
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0058 0.0111
Schistosoma mansoni rotamase 0.0035 0.0044 0.0075
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.009 0.0258 1
Echinococcus granulosus peregrin 0.0031 0.0026 0.0013
Loa Loa (eye worm) hypothetical protein 0.0399 0.1468 0.3564
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.0413 1
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0088 0.0248 0.0791
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.0413 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0326 0.0797
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0288 0.1035 0.5049
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0036 0.0047 0.0116
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.009 0.0258 0.0597
Loa Loa (eye worm) hypothetical protein 0.0031 0.0026 0.0029
Mycobacterium tuberculosis Probable esterase LipL 0.0107 0.0326 0.1095
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0126 0.04 0.0931
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0145 0.0475 0.1116
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0066 0.0111
Onchocerca volvulus Alhambra homolog 0.0031 0.0026 0.0025
Echinococcus multilocularis AMP dependent ligase 0.0036 0.0047 0.0027
Entamoeba histolytica acyl-CoA synthetase, putative 0.0036 0.0047 0.0154
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0181 0.0615 0.4297
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0237 0.0833 0.402
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0058 0.0091
Echinococcus granulosus expressed conserved protein 0.009 0.0256 0.0579
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0151 0.0499 0.1241
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0067 0.0103
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0445 0.1102
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0058 0.0111
Schistosoma mansoni cpg binding protein 0.0029 0.0021 0.0016
Loa Loa (eye worm) hypothetical protein 0.0032 0.0032 0.0043
Mycobacterium ulcerans polyketide synthase MbtC 0.009 0.0258 0.1076
Mycobacterium tuberculosis Polyketide synthase Pks12 0.038 0.1396 0.5303
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.009 0.0258 0.1076
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0358 0.1309 0.4961
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0445 0.0425
Toxoplasma gondii acyl carrier protein ACP 0.0036 0.0047 0.0155
Loa Loa (eye worm) hypothetical protein 0.0148 0.0485 0.1153
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0134 0.0785
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0036 0.0047 0.0072
Plasmodium falciparum acyl carrier protein 0.0036 0.0047 0.0548
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.009 0.0258 0.5834
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0326 0.766
Mycobacterium ulcerans Type I modular polyketide synthase 0.0358 0.1309 0.6451
Mycobacterium ulcerans polyketide synthase MbtD 0.011 0.0337 0.1481
Echinococcus multilocularis peregrin 0.0031 0.0026 0.0005
Trichomonas vaginalis esterase, putative 0.0107 0.0326 0.0668
Brugia malayi beta-lactamase family protein 0.0107 0.0326 0.0796
Mycobacterium ulcerans polyketide synthase 0.038 0.1396 0.6897
Echinococcus granulosus chromobox protein 1 0.0074 0.0194 0.0425
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.0044 0.0072
Mycobacterium ulcerans esterase/lipase LipP 0.0107 0.0326 0.1424
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.014 0.0828
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.014 0.0292
Onchocerca volvulus 0.0032 0.0032 0.0039
Loa Loa (eye worm) latrophilin receptor protein 2 0.0126 0.04 0.0945
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.0117
Loa Loa (eye worm) TAR-binding protein 0.0194 0.0667 0.1601
Brugia malayi Heterochromatin protein 1 0.0074 0.0194 0.0473
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0026 0.0005
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0335 0.1216 0.4598
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.03 0.0687
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0399 0.1468 0.3587
Mycobacterium tuberculosis Probable lipase LipD 0.0107 0.0326 0.1095
Brugia malayi Phosphopantetheine attachment site family protein 0.0036 0.0047 0.0116
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.009 0.0258 0.0238
Entamoeba histolytica hypothetical protein 0.0149 0.0487 1
Brugia malayi Bromodomain containing protein 0.0031 0.0026 0.0064
Schistosoma mansoni hypothetical protein 0.0031 0.0026 0.003
Mycobacterium ulcerans thioesterase TesA 0.0298 0.1075 0.5255
Schistosoma mansoni transcription factor LCR-F1 0.0149 0.0487 0.1211
Brugia malayi CHE-14 protein 0.0041 0.0066 0.0161
Brugia malayi hypothetical protein 0.0084 0.0233 0.057
Brugia malayi AMP-binding enzyme family protein 0.011 0.0337 0.0824
Mycobacterium ulcerans polyketide synthase Pks9 0.0237 0.0833 0.402
Mycobacterium ulcerans Type I modular polyketide synthase 0.0358 0.1309 0.6451
Loa Loa (eye worm) hypothetical protein 0.0053 0.0112 0.024
Toxoplasma gondii type I fatty acid synthase 0.0055 0.0121 0.0691
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0326 0.0668
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0679 0.2565 0.6269
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.014 0.0472
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0298 0.1075 0.5255
Echinococcus multilocularis GPCR, family 2 0.0126 0.04 0.038
Loa Loa (eye worm) hypothetical protein 0.013 0.0413 0.0977
Schistosoma mansoni hypothetical protein 0.1024 0.3919 1
Mycobacterium tuberculosis Conserved protein 0.0107 0.0326 0.1095
Brugia malayi Methyltransferase-like protein 4 0.0108 0.0328 0.0802
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0358 0.1309 0.4961
Brugia malayi Muscleblind-like protein 0.1069 0.4092 1
Onchocerca volvulus 0.0623 0.2348 0.509
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0326 0.0749
Toxoplasma gondii peptidylprolyl isomerase 0.0034 0.004 0.0104
Loa Loa (eye worm) hypothetical protein 0.0041 0.0066 0.0126
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0285 0.0692
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.014 0.0472
Echinococcus multilocularis NADH dehydrogenase 0.0036 0.0047 0.0027
Brugia malayi CXXC zinc finger family protein 0.0028 0.0014 0.0035
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.038 0.1396 0.5303
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.0445 0.1055
Echinococcus multilocularis protein dispatched 1 0.0047 0.0088 0.0068
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0347 0.1266 0.4791
Echinococcus granulosus acyl carrier protein mitochondrial 0.0036 0.0047 0.0065
Echinococcus multilocularis muscleblind protein 1 0.1069 0.4092 0.408
Brugia malayi jmjC domain containing protein 0.0101 0.03 0.0734
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.0117
Loa Loa (eye worm) acyl carrier protein 0.0165 0.0551 0.1315
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.009 0.0258 0.1691
Brugia malayi TAR-binding protein 0.0194 0.0667 0.1631
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.014 0.0119
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.014 0.2661
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0151 0.0499 0.1241
Loa Loa (eye worm) hypothetical protein 0.0273 0.0973 0.2352
Mycobacterium ulcerans polyketide synthase 0.0358 0.1309 0.6451
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0123 0.0388 0.134
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0149 0.0487 0.1146
Schistosoma mansoni tar DNA-binding protein 0.0194 0.0667 0.1672
Leishmania major acyl carrier protein, putative 0.0036 0.0047 0.0184
Schistosoma mansoni chromobox protein 0.0074 0.0194 0.0459
Toxoplasma gondii ABC1 family protein 0.0107 0.0326 0.2188
Echinococcus multilocularis chromobox protein 1 0.0074 0.0194 0.0173
Schistosoma mansoni hypothetical protein 0.0126 0.04 0.0987
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0358 0.1309 0.4961
Brugia malayi Pre-SET motif family protein 0.0151 0.0499 0.122
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0067 0.0103
Loa Loa (eye worm) hypothetical protein 0.0095 0.0279 0.0649
Mycobacterium leprae Probable polyketide synthase Pks1 0.038 0.1396 0.6897
Leishmania major hypothetical protein, conserved 0.0108 0.0328 0.7727
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0051 0.0107 0.2083
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0158 0.0368
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0288 0.1035 0.5049
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0036 0.0047 0.0027
Brugia malayi beta-lactamase 0.0107 0.0326 0.0796
Loa Loa (eye worm) hypothetical protein 0.0107 0.0326 0.0763
Schistosoma mansoni hypothetical protein 0.0126 0.04 0.0987
Schistosoma mansoni tar DNA-binding protein 0.0194 0.0667 0.1672
Mycobacterium tuberculosis Probable lipase LipE 0.0107 0.0326 0.1095
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0326 0.1424
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0055 0.0121 0.0376
Onchocerca volvulus 0.0164 0.0546 0.116
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0126 0.04 0.038
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.009 0.0258 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0685 0.259 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0326 0.0763
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0151 0.0499 0.1241
Loa Loa (eye worm) hypothetical protein 0.0126 0.04 0.0945
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0036 0.0047 0.0184
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0107 0.0326 0.1095
Echinococcus granulosus GPCR family 2 0.0126 0.04 0.0931
Loa Loa (eye worm) fatty acid synthase 0.0353 0.129 0.3128
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0079 0.013
Schistosoma mansoni methyltransferase-related 0.0108 0.0328 0.0804
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0058 0.0133 0.0276
Onchocerca volvulus 0.0335 0.1216 0.2622
Loa Loa (eye worm) hypothetical protein 0.1069 0.4092 1
Mycobacterium leprae Polyketide synthase Pks13 0.0535 0.2003 1
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0293 0.1053 0.3955
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0107 0.0326 0.1095
Mycobacterium ulcerans hypothetical protein 0.0107 0.0326 0.1424
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1053 0.4029 0.9845
Loa Loa (eye worm) hypothetical protein 0.0201 0.0692 0.1661
Schistosoma mansoni tar DNA-binding protein 0.0194 0.0667 0.1672
Echinococcus multilocularis chromobox protein 1 0.0074 0.0194 0.0173
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0036 0.0047 0.008
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.011 0.0337 0.1139
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.0279 0.0634
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0335 0.1216 0.2948
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0026 0.0029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0445 0.1041
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0358 0.1309 0.6451
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.014 0.032
Echinococcus multilocularis expressed protein 0.0035 0.0044 0.0023
Onchocerca volvulus 0.0107 0.0326 0.0679
Trichomonas vaginalis rotamase, putative 0.0035 0.0044 0.0052
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0326 0.0668
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0026 0.003
Brugia malayi Calcitonin receptor-like protein seb-1 0.0399 0.1468 0.3587
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0055 0.0121 0.0289
Trypanosoma brucei PAB1-binding protein , putative 0.013 0.0413 1
Schistosoma mansoni hypothetical protein 0.0273 0.0973 0.2456
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0066 0.01
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0232 0.0816 0.5765
Entamoeba histolytica hypothetical protein 0.0149 0.0487 1
Schistosoma mansoni chromobox protein 0.0074 0.0194 0.0459
Brugia malayi chromobox protein homolog 3 0.0041 0.0067 0.0164
Loa Loa (eye worm) hypothetical protein 0.0107 0.0326 0.0763
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0145 0.0473 0.1674
Mycobacterium leprae Probable lipase LipE 0.0107 0.0326 0.1424
Toxoplasma gondii type I fatty acid synthase, putative 0.038 0.1396 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0058 0.0106
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.014 0.032
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.009 0.0258 0.0623
Mycobacterium ulcerans beta-lactamase 0.0107 0.0326 0.1424
Loa Loa (eye worm) hypothetical protein 0.0107 0.0326 0.0763
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0399 0.1468 0.3564
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.014 0.0472
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0326 0.6336
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0194 0.0379
Onchocerca volvulus 0.1198 0.4598 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0445 0.1102
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0036 0.0047 0.0184
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.009 0.0258 0.4898
Loa Loa (eye worm) hypothetical protein 0.0602 0.2263 0.5514
Schistosoma mansoni hypothetical protein 0.0036 0.0047 0.0084
Schistosoma mansoni jumonji domain containing protein 0.008 0.0219 0.0524
Loa Loa (eye worm) beta-lactamase 0.0107 0.0326 0.0763
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0149 0.0487 0.0468
Schistosoma mansoni hypothetical protein 0.0039 0.006 0.0117
Plasmodium vivax ataxin-2 like protein, putative 0.013 0.0413 0.8179
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0073 0.0129
Schistosoma mansoni hypothetical protein 0.0126 0.04 0.0987
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0194 0.0379
Schistosoma mansoni patched 1 0.0041 0.0066 0.0131
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.03 0.028
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.009 0.0258 0.5834
Echinococcus granulosus expressed protein 0.0035 0.0044 0.0056
Loa Loa (eye worm) hypothetical protein 0.005 0.0102 0.0214
Entamoeba histolytica hypothetical protein 0.0149 0.0487 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.0445 0.1087
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.0413 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.038 0.1396 0.6897
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0066 0.0045
Mycobacterium ulcerans polyketide synthase Pks13 0.0535 0.2003 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0326 0.0763
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.014 0.0363
Mycobacterium tuberculosis Hypothetical protein 0.0108 0.0328 0.1105
Brugia malayi Latrophilin receptor protein 2 0.0126 0.04 0.0977
Loa Loa (eye worm) hypothetical protein 0.0151 0.0499 0.1188
Onchocerca volvulus 0.0148 0.0485 0.1026
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0151 0.0499 0.0479
Plasmodium vivax acyl carrier protein, putative 0.0036 0.0047 0.0448
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0079 0.013
Schistosoma mansoni hypothetical protein 0.1024 0.3919 1
Onchocerca volvulus 0.0036 0.0047 0.0072
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0051 0.0031
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0326 0.766
Mycobacterium ulcerans lipase LipD 0.0107 0.0326 0.1424
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0126 0.04 0.0977
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.009 0.0258 0.063
Loa Loa (eye worm) hypothetical protein 0.1069 0.4092 1
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0204 0.0703 0.258
Mycobacterium tuberculosis Conserved protein 0.0107 0.0326 0.1095
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0347 0.1266 0.4791
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0535 0.2003 0.769
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.009 0.0258 0.5988
Mycobacterium tuberculosis Conserved protein 0.0108 0.0328 0.1105
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0326 0.0306
Echinococcus granulosus tar DNA binding protein 0.0194 0.0667 0.1588
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.0328 0.0674
Echinococcus multilocularis geminin 0.1024 0.3919 0.3906
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.038 0.1396 0.6897
Echinococcus granulosus histone lysine methyltransferase setb 0.0151 0.0499 0.1175
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0326 0.0668
Onchocerca volvulus 0.0107 0.0326 0.0679
Toxoplasma gondii type I fatty acid synthase, putative 0.0255 0.0904 0.6412
Echinococcus multilocularis muscleblind protein 0.1069 0.4092 0.408
Leishmania major hypothetical protein, conserved 0.013 0.0413 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0326 0.0763
Treponema pallidum acyl carrier protein 0.0036 0.0047 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.0326 0.0763
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0326 0.0668
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0073 0.0053
Giardia lamblia Methyltransferase like 2 0.0108 0.0328 1
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0326 0.0668
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0055 0.0121 0.0289
Brugia malayi hypothetical protein 0.013 0.0413 0.1009
Loa Loa (eye worm) RNA binding protein 0.0194 0.0667 0.1601
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0288 0.1035 0.5049
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0058 0.0133 0.0113
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.0667 0.1631
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.038 0.1396 0.6897
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0066 0.0126
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.0044 0.0107
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0445 0.0425
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.0413 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.038 0.1396 0.6897
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.0439 0.1028
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.038 0.1396 0.5303
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.009 0.0258 0.5834
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.0279 0.0259
Entamoeba histolytica hypothetical protein 0.0149 0.0487 1
Brugia malayi RNA binding protein 0.0194 0.0667 0.1631
Loa Loa (eye worm) acyl carrier protein 0.0036 0.0047 0.008
Trichomonas vaginalis rotamase, putative 0.0034 0.004 0.0045
Loa Loa (eye worm) hypothetical protein 0.0055 0.0121 0.0261

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) 0 uM Inhibitory activity against dipeptidyl peptidase IV (DP-IV); NA: Not available ChEMBL. 15713382

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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