Detailed information for compound 1179888

Basic information

Technical information
  • TDR Targets ID: 1179888
  • Name: [(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4 -pyridin-4-ylpiperazin-1-yl)propan-2-yl] 4-(2 -oxo-1H-quinolin-3-yl)piperidine-1-carboxylat e
  • MW: 619.713 | Formula: C35H37N7O4
  • H donors: 2 H acceptors: 5 LogP: 3.82 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCC(CC1)c1cc2ccccc2[nH]c1=O)O[C@@H](C(=O)N1CCN(CC1)c1ccncc1)Cc1cc(C)c2c(c1)cn[nH]2
  • InChi: 1S/C35H37N7O4/c1-23-18-24(19-27-22-37-39-32(23)27)20-31(34(44)41-16-14-40(15-17-41)28-6-10-36-11-7-28)46-35(45)42-12-8-25(9-13-42)29-21-26-4-2-3-5-30(26)38-33(29)43/h2-7,10-11,18-19,21-22,25,31H,8-9,12-17,20H2,1H3,(H,37,39)(H,38,43)/t31-/m1/s1
  • InChiKey: CNDMPYBCNMZLDY-WJOKGBTCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(1R)-1-[(7-methyl-1H-indazol-5-yl)methyl]-2-oxo-2-[4-(4-pyridyl)piperazin-1-yl]ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
  • 4-(2-oxo-1H-quinolin-3-yl)-1-piperidinecarboxylic acid [(1R)-1-[(7-methyl-1H-indazol-5-yl)methyl]-2-oxo-2-[4-(4-pyridyl)-1-piperazinyl]ethyl] ester
  • 4-(2-keto-1H-quinolin-3-yl)piperidine-1-carboxylic acid [(1R)-2-keto-1-[(7-methyl-1H-indazol-5-yl)methyl]-2-[4-(4-pyridyl)piperazin-1-yl]ethyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calcitonin receptor-like Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c calcitonin receptor-like 461 aa 434 aa 28.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fatty acid synthase Fas 0.0127 0.1337 0.1759
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0271 0.0219
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0041 0.0307 0.0271
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0516 0.0988
Mycobacterium ulcerans thioesterase TesA 0.0338 0.3847 0.5384
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0393 0.4504 0.6333
Loa Loa (eye worm) hypothetical protein 0.004 0.0291 0.0366
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0041 0.0307 0.0271
Entamoeba histolytica acyl-CoA synthetase, putative 0.0041 0.0307 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0151 0.019
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0099 0.1 0.1272
Loa Loa (eye worm) hypothetical protein 0.0018 0.0029 0.0036
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0041 0.0307 0.0271
Loa Loa (eye worm) hypothetical protein 0.0025 0.0119 0.015
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0041 0.0307 0.0271
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0127 0.1337 0.1759
Loa Loa (eye worm) hypothetical protein 0.0038 0.0271 0.0341
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0025 0.0119 0.0325
Echinococcus multilocularis microtubule associated protein 2 0.0726 0.8483 0.8479
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0025 0.0119 0.0897
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.027 0.0286
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0025 0.0119 0.0183
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0268 0.3015 0.4183
Mycobacterium ulcerans beta-lactamase 0.0038 0.0271 0.0219
Leishmania major cathepsin L-like protease 0.0067 0.062 0.4742
Echinococcus granulosus microtubule associated protein 2 0.0726 0.8483 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0041 0.0307 0.0271
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0025 0.0119 0.009
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0041 0.0307 0.0342
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0025 0.0119 0.0722
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0102 0.1032 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0271 0.0219
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0338 0.3847 0.5384
Loa Loa (eye worm) fatty acid synthase 0.04 0.4588 0.5779
Mycobacterium leprae Probable lipase LipE 0.0038 0.0271 0.0219
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0271 0.2411
Echinococcus granulosus lamin dm0 0.0028 0.0157 0.0152
Schistosoma mansoni cpg binding protein 0.0032 0.02 0.0202
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0041 0.0307 0.0327
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0041 0.0307 0.0271
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0041 0.0307 0.0271
Loa Loa (eye worm) hypothetical protein 0.0038 0.0271 0.0341
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.0291 0.031
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0025 0.0119 0.3238
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0291 0.0945
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Mycobacterium ulcerans polyketide synthase Pks13 0.0606 0.7043 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0201 0.035
Echinococcus granulosus cpg binding protein 0.0032 0.02 0.0202
Echinococcus multilocularis NADH dehydrogenase 0.0041 0.0307 0.0279
Leishmania major zinc-binding dehydrogenase-like protein 0.0025 0.0119 0.0722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Schistosoma mansoni lamin 0.0028 0.0157 0.0152
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0062 0.056 0.0637
Echinococcus granulosus AMP dependent ligase 0.0041 0.0307 0.0329
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0597 0.0672
Mycobacterium tuberculosis Conserved protein 0.0038 0.0271 0.0219
Echinococcus granulosus acyl carrier protein mitochondrial 0.0041 0.0307 0.0329
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.018 0.0178
Mycobacterium tuberculosis Conserved protein 0.0038 0.0271 0.0219
Toxoplasma gondii ABC1 family protein 0.0038 0.0271 0.0491
Echinococcus granulosus lamin 0.0028 0.0157 0.0152
Schistosoma mansoni intermediate filament proteins 0.0028 0.0157 0.0152
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0768 0.898 1
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0127 0.1337 0.1759
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0244 0.0216
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.1163 0.1295
Onchocerca volvulus 0.003 0.0179 0.0177
Echinococcus multilocularis AMP dependent ligase 0.0041 0.0307 0.0279
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0271 0.2411
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0405 0.4652 0.6547
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0326 0.3708 0.5183
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0271 0.0341
Echinococcus multilocularis cpg binding protein 0.0032 0.02 0.0171
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0041 0.0307 0.0271
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0102 0.1032 0.805
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.0026 0.0124 0.0053
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0271 0.0286
Giardia lamblia Methyltransferase like 2 0.0122 0.1275 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0032
Schistosoma mansoni lamin 0.0028 0.0157 0.0152
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0244 0.0272
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0032
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0029 0.0036
Onchocerca volvulus 0.025 0.2801 0.326
Loa Loa (eye worm) hypothetical protein 0.0227 0.2527 0.3183
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0271 0.1663
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0029 0.0036
Mycobacterium ulcerans acyl carrier protein 0.0041 0.0307 0.0271
Brugia malayi hypothetical protein 0.0038 0.027 0.0301
Loa Loa (eye worm) hypothetical protein 0.0032 0.0201 0.0254
Mycobacterium ulcerans Type I modular polyketide synthase 0.0405 0.4652 0.6547
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0025 0.0119 0.0325
Schistosoma mansoni hypothetical protein 0.043 0.4954 0.5826
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0205 0.2262 0.4534
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.062 0.589
Loa Loa (eye worm) hypothetical protein 0.0062 0.056 0.0705
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.0291 0.031
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0025 0.0119 0.0132
Toxoplasma gondii acyl carrier protein ACP 0.0041 0.0307 0.0565
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0157 0.0198
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0062 0.056 0.0637
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0041 0.0307 0.0387
Mycobacterium tuberculosis Probable thioesterase TesA 0.0338 0.3847 0.5384
Toxoplasma gondii type I fatty acid synthase 0.0062 0.056 0.1079
Leishmania major zinc binding dehydrogenase-like protein 0.0025 0.0119 0.0722
Plasmodium vivax SET domain protein, putative 0.0032 0.0201 0.1719
Loa Loa (eye worm) hypothetical protein 0.0025 0.0119 0.015
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0271 0.0872
Schistosoma mansoni alcohol dehydrogenase 0.0025 0.0119 0.0106
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0271 0.0286
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0244 0.0272
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.0291 0.0263
Onchocerca volvulus 0.0379 0.4335 0.5064
Schistosoma mansoni methyltransferase-related 0.0122 0.1275 0.1474
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0041 0.0307 0.0271
Leishmania major acyl carrier protein, putative 0.0041 0.0307 0.2231
Schistosoma mansoni hypothetical protein 0.0036 0.0244 0.0254
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0032
Trypanosoma cruzi acyl transferase-like protein, putative 0.0026 0.0124 0.0946
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.055 0.5197
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0244 0.0216
Entamoeba histolytica hypothetical protein 0.0038 0.027 0.8687
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0041 0.0307 0.0271
Mycobacterium ulcerans lipase LipD 0.0038 0.0271 0.0219
Plasmodium vivax acyl carrier protein, putative 0.0041 0.0307 0.2772
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0032
Brugia malayi Phosphopantetheine attachment site family protein 0.0041 0.0307 0.0342
Loa Loa (eye worm) hypothetical protein 0.0077 0.0737 0.0929
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0102 0.1032 0.1186
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.027 0.0286
Brugia malayi intermediate filament protein 0.0028 0.0157 0.0175
Schistosoma mansoni hypothetical protein 0.0038 0.027 0.0286
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0041 0.0307 0.2772
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0448 0.4181
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0179 0.0226
Echinococcus granulosus GPCR family 2 0.0036 0.0244 0.0254
Brugia malayi beta-lactamase 0.0038 0.0271 0.0301
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0326 0.3708 0.5183
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0291 0.9419
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.0291 0.2102
Schistosoma mansoni acyl carrier protein 0.0041 0.0307 0.0329
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0102 0.1032 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.062 0.589
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.0026 0.0124 0.0138
Chlamydia trachomatis acyl carrier protein 0.0041 0.0307 0.2016
Loa Loa (eye worm) hypothetical protein 0.0113 0.1163 0.1465
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0405 0.4652 0.518
Brugia malayi CXXC zinc finger family protein 0.003 0.0179 0.02
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0271 0.0872
Trichomonas vaginalis set domain proteins, putative 0.025 0.2801 1
Schistosoma mansoni hypothetical protein 0.0036 0.0244 0.0254
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0201 0.0173
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0062 0.056 0.0637
Echinococcus multilocularis musashi 0.0028 0.0157 0.0129
Mycobacterium ulcerans polyketide synthase Pks9 0.0268 0.3015 0.4183
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0326 0.3708 0.5183
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0025 0.0119 0.0897
Schistosoma mansoni [ACP] S-malonyltransferase 0.0026 0.0124 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.1275 0.4495
Brugia malayi AMP-binding enzyme family protein 0.0379 0.4335 0.4827
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0271 0.0219
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0271 0.0219
Plasmodium falciparum malonyl CoA-acyl carrier protein transacylase 0.0026 0.0124 0.0946
Trypanosoma brucei acyl transferase-like protein 0.0026 0.0124 0.0053
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.043 0.4953 0.6981
Loa Loa (eye worm) hypothetical protein 0.0036 0.0244 0.0307
Mycobacterium ulcerans Type I modular polyketide synthase 0.0405 0.4652 0.6547
Mycobacterium ulcerans hypothetical protein 0.0038 0.0271 0.0219
Onchocerca volvulus 0.0028 0.0157 0.0151
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.1163 0.1465
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0291 0.0945
Mycobacterium ulcerans acyl carrier protein 0.0041 0.0307 0.0271
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0102 0.1032 0.1319
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0062 0.056 0.0637
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0041 0.0307 0.2059
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0102 0.1032 1
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0102 0.1032 0.1006
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.0026 0.0124 0.0007
Mycobacterium ulcerans polyketide synthase MbtC 0.0102 0.1032 0.1319
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0102 0.1032 0.13
Trypanosoma cruzi oxidoreductase, putative 0.0025 0.0119 0.0897
Onchocerca volvulus Fatty acid synthase homolog 0.073 0.8532 1
Leishmania major nuclear receptor binding factor-like protein 0.0025 0.0119 0.0722
Mycobacterium tuberculosis Conserved protein 0.0122 0.1275 0.1669
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0125 0.1305 0.1713
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0244 0.0307
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0157 0.0198
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0025 0.0119 0.3238
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0201 0.0204
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0041 0.0307 0.2059
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0307 0.0271
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.0291 0.031
Schistosoma mansoni [ACP] S-malonyltransferase 0.0026 0.0124 0.0112
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0062 0.056 0.0637
Toxoplasma gondii type I fatty acid synthase, putative 0.043 0.4953 1
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0102 0.1032 1
Entamoeba histolytica hypothetical protein 0.0038 0.027 0.8687
Schistosoma mansoni hypothetical protein 0.0077 0.0737 0.0838
Mycobacterium ulcerans hypothetical protein 0.0041 0.0307 0.0271
Loa Loa (eye worm) acyl carrier protein 0.0186 0.2041 0.2571
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0606 0.7043 1
Entamoeba histolytica hypothetical protein 0.0038 0.027 0.8687
Echinococcus granulosus NADH dehydrogenase 0.0041 0.0307 0.0329
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.0026 0.0124 0.0112
Toxoplasma gondii quinone oxidoreductase, putative 0.0025 0.0119 0.0183
Echinococcus granulosus intermediate filament protein 0.0028 0.0157 0.0152
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0271 0.0219
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.0026 0.0124 0.0095
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0025 0.0119 0.0897
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0025 0.0119 0.0897
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0025 0.0119 0.0132
Schistosoma mansoni cpg binding protein 0.003 0.0179 0.0178
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0379 0.4335 0.546
Trypanosoma cruzi oxidoreductase, putative 0.0025 0.0119 0.0897
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0271 0.0301
Onchocerca volvulus 0.0038 0.0271 0.0284
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0025 0.0119 0.015
Schistosoma mansoni cpg binding protein 0.0032 0.02 0.0202
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0405 0.4652 0.6547
Onchocerca volvulus 0.0025 0.0119 0.0106
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0041 0.0307 0.0271
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0271 0.0219
Schistosoma mansoni microtubule-associated protein tau 0.0726 0.8483 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0102 0.1032 0.1149
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0041 0.0307 0.0342
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0263 0.2954 0.5942
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0405 0.4652 0.6547
Brugia malayi Methyltransferase-like protein 4 0.0122 0.1275 0.1419
Mycobacterium leprae Probable polyketide synthase Pks1 0.043 0.4953 0.6981
Schistosoma mansoni [ACP] S-malonyltransferase 0.0026 0.0124 0.0112
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0271 0.0243
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.043 0.4953 0.6981
Toxoplasma gondii type I fatty acid synthase, putative 0.0288 0.3259 0.6561
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.023 0.2567 0.3535
Leishmania major oxidoreductase-like protein 0.0025 0.0119 0.0722
Loa Loa (eye worm) hypothetical protein 0.0025 0.0119 0.015
Leishmania major d-xylulose reductase, putative 0.0025 0.0119 0.0722
Loa Loa (eye worm) hypothetical protein 0.0038 0.0271 0.0341
Leishmania major hypothetical protein, conserved 0.0122 0.1275 1
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0041 0.0307 0.0271
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0201 0.0204
Treponema pallidum acyl carrier protein 0.0041 0.0307 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0244 0.0254
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0102 0.1032 0.1186
Mycobacterium ulcerans Type I modular polyketide synthase 0.0405 0.4652 0.6547
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0405 0.4652 0.6547
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0606 0.7043 1
Echinococcus multilocularis lamin 0.0028 0.0157 0.0129
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.027 0.0242
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.043 0.4953 0.6981
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0041 0.0307 0.0271
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.0291 0.0263
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0737 0.0821
Brugia malayi AMP-binding enzyme family protein 0.0125 0.1305 0.1453
Leishmania major quinone oxidoreductase, putative 0.0025 0.0119 0.0722
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0291 0.3291 0.4581
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0291 0.0945
Brugia malayi Pre-SET motif family protein 0.022 0.244 0.2717
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0331 0.3772 0.5275
Schistosoma mansoni hypothetical protein 0.0041 0.0307 0.0329
Onchocerca volvulus 0.0025 0.0119 0.0106
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0271 0.0872
Loa Loa (eye worm) hypothetical protein 0.0681 0.7939 1
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0511 0.4811
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0291 0.1882
Mycobacterium tuberculosis Conserved protein 0.0038 0.0271 0.0219
Echinococcus multilocularis GPCR, family 2 0.0036 0.0244 0.0216
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.0291 0.0263
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0291 0.2611
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0201 0.0204
Mycobacterium ulcerans thioesterase 0.0338 0.3847 0.5384
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0405 0.4652 0.6547
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0271 0.0286
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0029 0.0032
Loa Loa (eye worm) cysteine protease 0.0018 0.0029 0.0036
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0102 0.1032 0.2037
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0405 0.4652 0.6547
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0025 0.0119 0.0897
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0244 0.0254
Brugia malayi beta-lactamase family protein 0.0038 0.0271 0.0301
Leishmania major oxidoreductase, putative 0.0025 0.0119 0.0722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Loa Loa (eye worm) hypothetical protein 0.0038 0.0271 0.0341
Brugia malayi Alcohol dehydrogenase class III 0.0025 0.0119 0.0132
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0307 0.0271
Schistosoma mansoni zinc binding dehydrogenase 0.0025 0.0119 0.0106
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0139 0.148 0.1966
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0271 0.0219
Loa Loa (eye worm) hypothetical protein 0.0026 0.0124 0.0156
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0041 0.0307 0.0271
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.0291 0.0324
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.2707 0.3738
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0041 0.0307 0.0279
Loa Loa (eye worm) acyl carrier protein 0.0041 0.0307 0.0387
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0025 0.0119 0.0132
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0271 0.0219
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0393 0.4504 0.6333
Trypanosoma cruzi oxidoreductase, putative 0.0025 0.0119 0.0897
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0271 0.0219
Loa Loa (eye worm) hypothetical protein 0.0038 0.0271 0.0341
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0032
Brugia malayi beta-lactamase family protein 0.0038 0.0271 0.0301
Leishmania major hypothetical protein, conserved 0.0026 0.0124 0.0761
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0025 0.0119 0.3238
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0291 0.2611
Onchocerca volvulus 0.0032 0.0201 0.0203
Mycobacterium tuberculosis Polyketide synthase Pks12 0.043 0.4953 0.6981
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.1163 0.1295
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0244 0.0254
Echinococcus granulosus dnaJ subfamily B 0.043 0.4954 0.5826
Loa Loa (eye worm) hypothetical protein 0.0062 0.056 0.0705
Plasmodium falciparum acyl carrier protein 0.0041 0.0307 0.2772
Loa Loa (eye worm) ctsf protein 0.0018 0.0029 0.0036
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0164 0.1773 0.2389
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0379 0.4335 0.6089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.062 0.589
Onchocerca volvulus Putative alcohol dehydrogenase 0.0025 0.0119 0.0106
Loa Loa (eye worm) fibroinase 0.0018 0.0029 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0201 0.0204
Loa Loa (eye worm) hypothetical protein 0.0038 0.0271 0.0341
Onchocerca volvulus 0.0705 0.8232 0.9647
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.043 0.4953 0.6981
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0268 0.3015 0.4183
Mycobacterium tuberculosis Hypothetical protein 0.0122 0.1275 0.1669
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0102 0.1032 0.1319
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0041 0.0307 0.0271
Brugia malayi Pre-SET motif family protein 0.0032 0.0201 0.0224
Mycobacterium leprae Polyketide synthase Pks13 0.0606 0.7043 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0271 0.2411
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.062 0.589
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.043 0.4953 0.6981
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.0291 0.031
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0025 0.0119 0.0325
Mycobacterium ulcerans acyl-CoA synthetase 0.0041 0.0307 0.0271
Loa Loa (eye worm) beta-lactamase 0.0038 0.0271 0.0341
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.0291 0.031
Brugia malayi Cathepsin L-like precursor 0.0018 0.0029 0.0032
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0201 0.0204
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Leishmania major cathepsin L-like protease 0.0067 0.062 0.4742
Onchocerca volvulus 0.0041 0.0307 0.0327
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0102 0.1032 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.062 0.5485
Leishmania major hypothetical protein, conserved 0.0038 0.0271 0.1941
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0025 0.0119 0.0106
Plasmodium vivax malonyl CoA-acyl carrier protein transacylase precursor, putative 0.0026 0.0124 0.0946
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0157 0.0175
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0102 0.1032 1
Onchocerca volvulus 0.0038 0.0271 0.0284
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0201 0.0173
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0041 0.0307 0.0271
Trypanosoma cruzi acyl transferase-like protein 0.0026 0.0124 0.0946
Onchocerca volvulus 0.0038 0.0271 0.0284
Entamoeba histolytica acyl-CoA synthetase, putative 0.0041 0.0307 1
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0271 0.0219
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0058 0.0511 0.4811
Loa Loa (eye worm) hypothetical protein 0.0028 0.0157 0.0198
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.043 0.4953 0.6981
Entamoeba histolytica hypothetical protein 0.0038 0.027 0.8687
Trichomonas vaginalis esterase, putative 0.0038 0.0271 0.0872
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0025 0.0119 0.0897
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.244 0.3073
Loa Loa (eye worm) hypothetical protein 0.0025 0.0119 0.015
Leishmania major cathepsin L-like protease 0.0067 0.062 0.4742
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0271 0.0872
Mycobacterium ulcerans polyketide synthase 0.043 0.4953 0.6981
Echinococcus multilocularis lamin dm0 0.0028 0.0157 0.0129
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0271 0.0872
Schistosoma mansoni hypothetical protein 0.0036 0.0244 0.0254
Toxoplasma gondii acyl transferase domain-containing protein 0.0026 0.0124 0.0193
Mycobacterium ulcerans polyketide synthase 0.0405 0.4652 0.6547
Onchocerca volvulus 0.0028 0.0157 0.0151
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0102 0.1032 1
Mycobacterium ulcerans polyketide synthase MbtD 0.0125 0.1305 0.1713
Echinococcus multilocularis dnaJ subfamily B 0.043 0.4954 0.494

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.063 nM Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production ChEMBL. 19467597

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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