Detailed information for compound 1181878

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 733.448 | Formula: C44H66ClN4OP
  • H donors: 3 H acceptors: 1 LogP: 11 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC[P+](Cc1ccc(cc1)NC(=O)C(c1ccc2c(c1)cccc2)N/C(=N/C1CCCCC1)/NC1CCCCC1)(CCCC)CCCC.[Cl-]
  • InChi: 1S/C44H65N4OP.ClH/c1-4-7-30-50(31-8-5-2,32-9-6-3)34-35-24-28-41(29-25-35)45-43(49)42(38-27-26-36-18-16-17-19-37(36)33-38)48-44(46-39-20-12-10-13-21-39)47-40-22-14-11-15-23-40;/h16-19,24-29,33,39-40,42H,4-15,20-23,30-32,34H2,1-3H3,(H2-,45,46,47,48,49);1H
  • InChiKey: ZUYPTCOFCQMEFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bradykinin receptor B2 Starlite/ChEMBL No 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
Echinococcus granulosus pyroglutamylated rfamide peptide receptor bradykinin receptor B2 391 aa 354 aa 19.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0147 0.0214
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0235 0.1399 0.2377
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0086 0.0577
Plasmodium vivax hypothetical protein, conserved 0.0034 0.012 0.1469
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0052 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0143 0.0815 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0335 0.2031 0.3493
Mycobacterium ulcerans acyl carrier protein 0.0024 0.0057 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0077 0.0098
Mycobacterium ulcerans polyketide synthase MbtC 0.0059 0.0281 0.1312
Mycobacterium tuberculosis Conserved protein 0.0143 0.0815 0.1347
Plasmodium falciparum phd finger protein, putative 0.0028 0.0086 0.1197
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0024 0.0057 0.0265
Schistosoma mansoni hypothetical protein 0.0065 0.0322 0.1466
Echinococcus multilocularis muscleblind protein 0.1063 0.6659 0.6659
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0024 0.0057 0.0085
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.025 0.1492 0.6979
Brugia malayi Calcitonin receptor-like protein seb-1 0.0207 0.1221 0.1833
Plasmodium vivax hypothetical protein, conserved 0.0143 0.0815 1
Entamoeba histolytica hypothetical protein 0.0037 0.0141 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0147 0.0221
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.0855 0.3896
Schistosoma mansoni chromobox protein 0.0068 0.0336 0.1533
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0166 0.0244
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0065 0.0907
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.0855 0.3896
Onchocerca volvulus 0.0143 0.0815 0.1257
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0128 0.0718 0.881
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.025 0.1492 0.6903
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0297 0.1355
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.0107 0.6244
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0143 0.0815 0.1224
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0024 0.0057 0.0265
Toxoplasma gondii type I fatty acid synthase, putative 0.025 0.1492 1
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.0771 0.1158
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0275 0.1846
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0427 0.0641
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0086 0.0129
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0207 0.1221 0.1833
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0157 0.0235
Toxoplasma gondii acyl carrier protein ACP 0.0024 0.0057 0.0379
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0134 0.0201
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0119 0.066 0.4427
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0155 0.0893 0.4033
Echinococcus multilocularis AMP dependent ligase 0.0024 0.0057 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0134 0.076 0.3461
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0427 0.1944
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0143 0.0815 0.3715
Brugia malayi jmjC domain containing protein 0.0036 0.0134 0.0201
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0052 0.0245
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0322 0.0483
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0095 0.051 0.0807
Loa Loa (eye worm) hypothetical protein 0.0142 0.0805 0.1208
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0143 0.0815 0.1347
Loa Loa (eye worm) hypothetical protein 0.0395 0.2414 0.3625
Brugia malayi AMP-binding enzyme family protein 0.0072 0.0365 0.0548
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0059 0.0281 0.1381
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0024 0.0057 0.0265
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0024 0.0057 0.0021
Loa Loa (eye worm) hypothetical protein 0.0132 0.0742 0.1115
Echinococcus granulosus histone lysine methyltransferase setb 0.0123 0.0689 0.1035
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0124 0.0124
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0235 0.1399 0.6458
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0128 0.0718 0.881
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0322 0.0322
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0065 0.0799
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0052 0.0728
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0351 0.2137 0.3681
Trichomonas vaginalis set domain proteins, putative 0.0974 0.6095 1
Loa Loa (eye worm) fatty acid synthase 0.0232 0.1379 0.2071
Entamoeba histolytica hypothetical protein 0.0037 0.0141 1
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0169 0.0978 0.1635
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0915 0.5717 1
Mycobacterium ulcerans polyketide synthase MbtD 0.0072 0.0365 0.1707
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0322 0.0483
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0052 0.0641
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.022 0.1301 0.2204
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0123 0.0689 0.4621
Leishmania major hypothetical protein, conserved 0.0025 0.0065 0.0799
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0059 0.0281 0.0281
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.0855 0.0855
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0316 0.144
Echinococcus granulosus acyl carrier protein mitochondrial 0.0024 0.0057 0.0085
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0147 0.015
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0235 0.1399 0.6545
Trichomonas vaginalis esterase, putative 0.0143 0.0815 0.1313
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0024 0.0057 0.0694
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0297 0.0297
Mycobacterium ulcerans Type I modular polyketide synthase 0.0235 0.1399 0.6545
Toxoplasma gondii type I fatty acid synthase 0.0036 0.0135 0.0904
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0335 0.2031 0.9503
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0024 0.0057 0.0008
Loa Loa (eye worm) acyl carrier protein 0.0108 0.0592 0.0889
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0057 0.0486
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0052 0.035
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0189 0.1107 0.518
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0107 0.1317
Mycobacterium ulcerans acyl carrier protein 0.0024 0.0057 0.0265
Loa Loa (eye worm) hypothetical protein 0.0207 0.1221 0.1833
Mycobacterium tuberculosis Probable hydrolase 0.0143 0.0815 0.1347
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0427 0.0427
Echinococcus multilocularis cpg binding protein 0.003 0.0096 0.0096
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0166 0.0244
Trichomonas vaginalis D-aminoacylase, putative 0.0143 0.0815 0.1313
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.025 0.1492 0.6903
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0427 0.0641
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0143 0.0815 0.1347
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0356 0.0557
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0052 0.0641
Brugia malayi chromobox protein homolog 3 0.0038 0.0147 0.0221
Brugia malayi dihydrofolate reductase family protein 0.0335 0.2031 0.305
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0074 0.0375 0.1547
Loa Loa (eye worm) RNA binding protein 0.0062 0.0297 0.0447
Schistosoma mansoni hypothetical protein 0.0037 0.0141 0.064
Brugia malayi CXXC zinc finger family protein 0.0028 0.0086 0.0129
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0059 0.0281 0.344
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0086 0.0577
Echinococcus granulosus geminin 0.036 0.2195 0.3296
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0024 0.0057 0.0265
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0059 0.0281 0.344
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0077 0.0098
Brugia malayi Muscleblind-like protein 0.1063 0.6659 1
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0322 0.0483
Loa Loa (eye worm) hypothetical protein 0.0143 0.0815 0.1224
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0166 0.018
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0112 0.0157
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0278 0.0417
Schistosoma mansoni hypothetical protein 0.0142 0.0805 0.3666
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0112 0.0169
Brugia malayi beta-lactamase family protein 0.0143 0.0815 0.1224
Brugia malayi Bromodomain containing protein 0.0028 0.0086 0.0129
Echinococcus granulosus beta LACTamase domain containing family member 0.0143 0.0815 0.1224
Mycobacterium tuberculosis Conserved protein 0.0071 0.0356 0.0535
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0134 0.0611
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0024 0.0057 0.2016
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0059 0.0281 0.1312
Echinococcus multilocularis GPCR, family 2 0.0065 0.0322 0.0322
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0336 0.0526
Mycobacterium ulcerans polyketide synthase Pks13 0.0351 0.2137 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0052 0.0641
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0107 0.1317
Mycobacterium tuberculosis Probable lipase LipD 0.0143 0.0815 0.1347
Schistosoma mansoni dihydrofolate reductase 0.0335 0.2031 0.9253
Onchocerca volvulus 0.0143 0.0815 0.1257
Mycobacterium ulcerans lipase LipD 0.0143 0.0815 0.3815
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0123 0.0689 0.314
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0128 0.0718 0.4816
Brugia malayi hypothetical protein 0.0037 0.0141 0.0211
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0034 0.012 0.1667
Loa Loa (eye worm) hypothetical protein 0.0028 0.0086 0.0129
Toxoplasma gondii ABC1 family protein 0.0143 0.0815 0.5466
Loa Loa (eye worm) hypothetical protein 0.0143 0.0815 0.1224
Mycobacterium tuberculosis Probable lipase LipE 0.0143 0.0815 0.1347
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0235 0.1399 0.6458
Brugia malayi Heterochromatin protein 1 0.0068 0.0336 0.0505
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0189 0.1107 0.5059
Echinococcus granulosus muscleblind protein 0.1063 0.6659 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0297 0.1355
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0336 0.0505
Brugia malayi MH2 domain containing protein 0.0136 0.0771 0.1158
Schistosoma mansoni methyltransferase-related 0.0071 0.0356 0.162
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0052 0.0257
Onchocerca volvulus Alhambra homolog 0.0028 0.0086 0.0049
Onchocerca volvulus 0.0409 0.2505 0.4054
Brugia malayi PHD-finger family protein 0.0028 0.0086 0.0129
Loa Loa (eye worm) dihydrofolate reductase 0.0335 0.2031 0.305
Brugia malayi Pre-SET motif family protein 0.0856 0.5345 0.8026
Brugia malayi Pre-SET motif family protein 0.0123 0.0689 0.1035
Echinococcus multilocularis chromobox protein 1 0.0068 0.0336 0.0336
Toxoplasma gondii type I fatty acid synthase, putative 0.0167 0.0969 0.6494
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0021 0.0038 0.0173
Loa Loa (eye worm) hypothetical protein 0.0123 0.0689 0.1035
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0297 0.1355
Mycobacterium leprae Polyketide synthase Pks13 0.0351 0.2137 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0065 0.0098
Echinococcus multilocularis muscleblind protein 1 0.1063 0.6659 0.6659
Leishmania major hypothetical protein, conserved 0.0143 0.0815 1
Onchocerca volvulus 0.0082 0.0427 0.0613
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0081 0.0419 0.0647
Mycobacterium ulcerans thioesterase TesA 0.0196 0.115 0.538
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0496 0.0496
Brugia malayi Phosphopantetheine attachment site family protein 0.0024 0.0057 0.0085
Loa Loa (eye worm) hypothetical protein 0.0143 0.0815 0.1224
Brugia malayi SET domain containing protein 0.0016 0.0009 0.0013
Brugia malayi F/Y-rich N-terminus family protein 0.0022 0.0048 0.0073
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0074 0.0375 0.0569
Mycobacterium ulcerans fatty acid synthase Fas 0.0074 0.0375 0.1753
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0118 0.0657 0.0986
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0112 0.0169
Brugia malayi Methyltransferase-like protein 4 0.0071 0.0356 0.0534
Mycobacterium ulcerans beta-lactamase 0.0143 0.0815 0.3815
Mycobacterium ulcerans esterase/lipase LipP 0.0143 0.0815 0.3815
Treponema pallidum acyl carrier protein 0.0024 0.0057 1
Chlamydia trachomatis dihydrofolate reductase 0.0335 0.2031 1
Echinococcus granulosus cpg binding protein 0.003 0.0096 0.0144
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0207 0.1221 0.1833
Loa Loa (eye worm) hypothetical protein 0.0036 0.0135 0.0202
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.0855 0.1284
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.0855 0.1284
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0036 0.0135 0.0146
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0143 0.0815 0.3815
Loa Loa (eye worm) hypothetical protein 0.0036 0.0135 0.0202
Echinococcus granulosus NADH dehydrogenase 0.0024 0.0057 0.0085
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0065 0.0799
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.0855 0.0855
Trichomonas vaginalis penicillin-binding protein, putative 0.0143 0.0815 0.1313
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0297 0.1355
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0059 0.0281 0.0421
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.025 0.1492 0.2541
Trypanosoma cruzi hypothetical protein, conserved 0.0143 0.0815 1
Brugia malayi Dihydrofolate reductase 0.0335 0.2031 0.305
Onchocerca volvulus 0.0134 0.076 0.1164
Leishmania major hypothetical protein, conserved 0.0071 0.0356 0.4361
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0134 0.0611
Schistosoma mansoni rotamase 0.0033 0.0112 0.0511
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0072 0.0365 0.0552
Echinococcus multilocularis peregrin 0.0028 0.0086 0.0086
Onchocerca volvulus 0.0028 0.0086 0.0048
Echinococcus granulosus GPCR family 2 0.0065 0.0322 0.0483
Plasmodium vivax SET domain protein, putative 0.0123 0.0689 0.8453
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0128 0.0718 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0065 0.0799
Loa Loa (eye worm) hypothetical protein 0.0143 0.0815 0.1224
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0057 0.0021
Onchocerca volvulus 0.0974 0.6095 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0856 0.5345 0.8026
Mycobacterium ulcerans Type I modular polyketide synthase 0.0235 0.1399 0.6545
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0036 0.0135 0.0146
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0141 0.0211
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0297 0.0447
Plasmodium vivax acyl carrier protein, putative 0.0024 0.0057 0.0694
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0059 0.0281 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0297 0.0447
Mycobacterium tuberculosis Probable thioesterase TesA 0.0196 0.115 0.1938
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0235 0.1399 0.2101
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0024 0.0057 0.0265
Loa Loa (eye worm) acyl carrier protein 0.0024 0.0057 0.0085
Mycobacterium tuberculosis Conserved protein 0.0143 0.0815 0.1347
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0155 0.0893 0.4179
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0228 0.1353 0.2296
Loa Loa (eye worm) hypothetical protein 0.0082 0.0427 0.0641
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0235 0.1399 0.2377
Mycobacterium ulcerans polyketide synthase Pks9 0.0155 0.0893 0.4179
Echinococcus granulosus expressed protein 0.0033 0.0112 0.0169
Echinococcus multilocularis beta LACTamase domain containing family member 0.0143 0.0815 0.0815
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0149 0.0855 0.1284
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0024 0.0057 0.0008
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0134 0.0201
Loa Loa (eye worm) hypothetical protein 0.0049 0.0215 0.0322
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0143 0.0815 0.1347
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0086 0.0129
Echinococcus granulosus tar DNA binding protein 0.0062 0.0297 0.0447
Loa Loa (eye worm) hypothetical protein 0.0143 0.0815 0.1224
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.0805 0.1208
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0322 0.0483
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0024 0.0057 0.0057
Trichomonas vaginalis penicillin-binding protein, putative 0.0143 0.0815 0.1313
Mycobacterium leprae conserved hypothetical protein 0.0143 0.0815 0.366
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0024 0.0057 0.0008
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0152 0.0874 0.5862
Schistosoma mansoni cpg binding protein 0.003 0.0096 0.0437
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0057 0.0021
Schistosoma mansoni hypothetical protein 0.036 0.2195 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0059 0.0281 0.0421
Mycobacterium tuberculosis Hypothetical protein 0.0071 0.0356 0.0535
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.0771 0.1158
Loa Loa (eye worm) hypothetical protein 0.0065 0.0322 0.0483
Mycobacterium ulcerans Type I modular polyketide synthase 0.0235 0.1399 0.6545
Mycobacterium ulcerans thioesterase 0.0196 0.115 0.538
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0057 0.0265
Mycobacterium tuberculosis Conserved protein 0.0143 0.0815 0.1347
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0322 0.0322
Onchocerca volvulus 0.022 0.1301 0.206
Loa Loa (eye worm) hypothetical protein 0.1063 0.6659 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0297 0.0447
Brugia malayi hypothetical protein 0.0016 0.0009 0.0013
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0024 0.0057 0.0265
Mycobacterium ulcerans hypothetical protein 0.0024 0.0057 0.0265
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0107 0.1317
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0107 0.072
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0192 0.1127 0.1897
Schistosoma mansoni hypothetical protein 0.0028 0.0086 0.0392
Mycobacterium tuberculosis Polyketide synthase Pks12 0.025 0.1492 0.2541
Onchocerca volvulus Fatty acid synthase homolog 0.0424 0.2597 0.4207
Echinococcus granulosus chromobox protein 1 0.0068 0.0336 0.0505
Trypanosoma brucei hypothetical protein, conserved 0.0143 0.0815 1
Onchocerca volvulus 0.0143 0.0815 0.1257
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0351 0.2137 0.3681
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0143 0.0815 0.1224
Echinococcus multilocularis expressed protein 0.0033 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.003 0.0095 0.0143
Schistosoma mansoni hypothetical protein 0.0065 0.0322 0.1466
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0147 0.0214
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0123 0.0689 0.0689
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0036 0.0135 0.0146
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0065 0.0799
Brugia malayi RNA binding protein 0.0062 0.0297 0.0447
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0052 0.1864
Echinococcus multilocularis dihydrofolate reductase 0.0335 0.2031 0.2031
Schistosoma mansoni hypothetical protein 0.0024 0.0057 0.0258
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0059 0.0281 0.3905
Schistosoma mansoni acyl carrier protein 0.0024 0.0057 0.0258
Echinococcus multilocularis NADH dehydrogenase 0.0024 0.0057 0.0057
Brugia malayi AMP-binding enzyme family protein 0.022 0.1301 0.1953
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0322 0.0483
Mycobacterium leprae Probable lipase LipE 0.0143 0.0815 0.366
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0024 0.0057 0.0085
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0059 0.0281 0.1278
Brugia malayi beta-lactamase 0.0143 0.0815 0.1224
Loa Loa (eye worm) beta-lactamase 0.0143 0.0815 0.1224
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0128 0.0718 0.881
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0336 0.0526
Chlamydia trachomatis acyl carrier protein 0.0024 0.0057 0.0279
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0024 0.0057 0.0085
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0059 0.0281 0.1881
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0086 0.0129
Brugia malayi hypothetical protein 0.0025 0.0065 0.0098
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0024 0.0057 0.0008
Trichomonas vaginalis rotamase, putative 0.0032 0.0107 0.0149
Trichomonas vaginalis rotamase, putative 0.0033 0.0112 0.0157
Mycobacterium tuberculosis Probable esterase LipL 0.0143 0.0815 0.1347
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0059 0.0281 0.0421
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0189 0.1107 0.518
Echinococcus granulosus peregrin 0.0028 0.0086 0.0129
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0149 0.0855 0.1284
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0065 0.0907
Mycobacterium leprae Probable polyketide synthase Pks1 0.025 0.1492 0.6903
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0059 0.0281 0.344
Leishmania major acyl carrier protein, putative 0.0024 0.0057 0.0694
Echinococcus granulosus AMP dependent ligase 0.0024 0.0057 0.0085
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0086 0.0086
Brugia malayi beta-lactamase family protein 0.0143 0.0815 0.1224
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0143 0.0815 0.3715
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0024 0.0057 0.0694
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0065 0.0437
Loa Loa (eye worm) hypothetical protein 0.0143 0.0815 0.1224
Mycobacterium ulcerans polyketide synthase 0.0235 0.1399 0.6545
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0059 0.0281 0.344
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0086 0.1055
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0141 0.064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0123 0.0689 0.314
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.025 0.1492 0.2541
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0375 0.1707
Brugia malayi TAR-binding protein 0.0062 0.0297 0.0447
Schistosoma mansoni cpg binding protein 0.0028 0.0086 0.0391
Echinococcus granulosus dihydrofolate reductase 0.0335 0.2031 0.305
Giardia lamblia Methyltransferase like 2 0.0071 0.0356 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0024 0.0057 0.0008
Echinococcus granulosus chromobox protein 1 0.0068 0.0336 0.0505
Entamoeba histolytica hypothetical protein 0.0037 0.0141 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0141 0.0141
Brugia malayi jmjC domain containing protein 0.0093 0.0496 0.0745
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0057 0.0486
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0157 0.0157
Schistosoma mansoni hypothetical protein 0.0065 0.0322 0.1466
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0235 0.1399 0.2377
Mycobacterium tuberculosis Conserved hypothetical protein 0.0024 0.0057 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.0855 0.3896
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0057 0.0271 0.0385
Onchocerca volvulus 0.003 0.0095 0.0064
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0128 0.0718 0.881
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0024 0.0057 0.0008
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0024 0.0057 0.0008
Trichomonas vaginalis D-aminoacylase, putative 0.0143 0.0815 0.1313
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0059 0.0281 0.344
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0086 0.0392
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0335 0.2031 0.949
Echinococcus multilocularis chromobox protein 1 0.0068 0.0336 0.0336
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0196 0.115 0.5265
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0123 0.0689 0.0689
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0107 0.1317
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0059 0.0281 0.1312
Trichomonas vaginalis D-aminoacylase, putative 0.0143 0.0815 0.1313
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0057 0.0008
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0228 0.1353 0.2296
Echinococcus multilocularis geminin 0.036 0.2195 0.2195
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0036 0.0135 0.0396
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0496 0.0745
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0036 0.0135 0.0146
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.025 0.1492 0.6979
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0134 0.0755 0.124
Mycobacterium ulcerans hypothetical protein 0.0143 0.0815 0.3815
Entamoeba histolytica hypothetical protein 0.0037 0.0141 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.022 0.1301 0.1953
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0052 0.035
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0297 0.1355
Schistosoma mansoni cpg binding protein 0.003 0.0096 0.0437
Plasmodium falciparum acyl carrier protein 0.0024 0.0057 0.0787
Schistosoma mansoni hypothetical protein 0.0065 0.0322 0.1466
Schistosoma mansoni hypothetical protein 0.036 0.2195 1
Loa Loa (eye worm) hypothetical protein 0.1063 0.6659 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0446 0.2736 0.4108
Mycobacterium ulcerans polyketide synthase 0.025 0.1492 0.6979
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0123 0.0689 0.314
Schistosoma mansoni chromobox protein 0.0068 0.0336 0.1533

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3.44 uM Binding affinity against human IMR 90 fetal lung fibroblast bradykinin receptor B2 ChEMBL. No reference

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

No literature references available for this target.

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