Detailed information for compound 1105550

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 561.928 | Formula: C23H22ClF2N9O4
  • H donors: 2 H acceptors: 7 LogP: 3.35 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCN(C(=O)N[C@@H](c1ncc(cc1F)c1cc(Cl)cc(c1c1nnn(n1)C)F)C)NC(=O)c1onc(c1)OC
  • InChi: 1S/C23H22ClF2N9O4/c1-5-35(31-22(36)17-9-18(38-4)32-39-17)23(37)28-11(2)20-16(26)6-12(10-27-20)14-7-13(24)8-15(25)19(14)21-29-33-34(3)30-21/h6-11H,5H2,1-4H3,(H,28,37)(H,31,36)/t11-/m1/s1
  • InChiKey: UYYBPFJNCYLYGI-LLVKDONJSA-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 B1 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0043
Loa Loa (eye worm) hypothetical protein 0.0078 0.066 0.1104
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.01 0.0904 1
Brugia malayi nuclear hormone receptor 0.0019 0.0011 0.0019
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.0245 0.0398
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0078 0.066 0.122
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0551 0.0678
Schistosoma mansoni thyroid hormone receptor 0.004 0.0245 0.0294
Plasmodium falciparum protein serine/threonine kinase-1 0.0068 0.0551 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0143 0.138 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0245 0.0417
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0245 0.0294
Brugia malayi orphan nuclear receptor NR2E1 0.0019 0.0011 0.0019
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0068 0.0551 0.6012
Mycobacterium ulcerans lipase LipD 0.0078 0.066 0.211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.0245 0.0398
Brugia malayi nuclear receptor NHR-67 0.0019 0.0011 0.0019
Onchocerca volvulus 0.0033 0.0169 0.0584
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0267 0.2749 0.4663
Brugia malayi intermediate filament protein 0.0053 0.039 0.0662
Plasmodium falciparum thioredoxin reductase 0.0056 0.0425 0.7629
Brugia malayi tailless protein 0.0019 0.0011 0.0019
Onchocerca volvulus Bile acid receptor homolog 0.004 0.0245 0.0866
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0018 0.0031
Loa Loa (eye worm) hypothetical protein 0.0078 0.066 0.1104
Echinococcus granulosus tar DNA binding protein 0.0267 0.2749 0.344
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.0245 0.0294
Onchocerca volvulus 0.0078 0.066 0.24
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0245 0.0294
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0174 0.1726 0.2155
Mycobacterium ulcerans hypothetical protein 0.0078 0.066 0.211
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0018 0.0008
Loa Loa (eye worm) hypothetical protein 0.0067 0.054 0.09
Schistosoma mansoni hypothetical protein 0.0174 0.1726 0.2155
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.0245 0.0234
Loa Loa (eye worm) hypothetical protein 0.0078 0.066 0.1104
Loa Loa (eye worm) steroid hormone receptor 0.004 0.0245 0.0398
Mycobacterium ulcerans glutaminase 0.0295 0.3058 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Brugia malayi nuclear receptor NHR-88 0.0019 0.0011 0.0019
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.066 0.211
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.0245 0.0294
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0245 0.0417
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.0245 0.0417
Brugia malayi RNA binding protein 0.0267 0.2749 0.4673
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.0245 0.0294
Loa Loa (eye worm) hypothetical protein 0.0033 0.0169 0.0269
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0169 0.2356
Plasmodium falciparum glutathione reductase 0.0056 0.0425 0.7629
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0169 0.0158
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0143 0.138 0.2589
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0068 0.0551 0.6012
Mycobacterium tuberculosis Probable lipase LipD 0.0078 0.066 0.122
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.0245 0.0234
Onchocerca volvulus 0.0264 0.2712 1
Brugia malayi Steroid receptor seven-up type 2 0.004 0.0245 0.0417
Brugia malayi latrophilin 2 splice variant baaae 0.0377 0.3959 0.673
Trypanosoma cruzi trypanothione reductase, putative 0.0056 0.0425 0.4586
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0333 0.3475 0.5899
Loa Loa (eye worm) hypothetical protein 0.0551 0.5883 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 0.0245 0.0234
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.1726 0.2921
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.066 0.0814
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0129 0.1221 0.7802
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.0245 0.0294
Brugia malayi hypothetical protein 0.0021 0.0036 0.0062
Plasmodium vivax thioredoxin reductase, putative 0.0056 0.0425 0.6337
Trichomonas vaginalis set domain proteins, putative 0.0264 0.2712 0.8861
Onchocerca volvulus 0.0053 0.039 0.14
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0117 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0333 0.3475 0.4353
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0117 0.018
Leishmania major hypothetical protein, conserved 0.0028 0.0108 0.1018
Plasmodium vivax SET domain protein, putative 0.0033 0.0169 0.2356
Echinococcus multilocularis GPCR, family 2 0.0174 0.1726 0.1717
Loa Loa (eye worm) hypothetical protein 0.0377 0.3959 0.6723
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.2359 0.3998
Brugia malayi nuclear hormone receptor 0.004 0.0245 0.0417
Mycobacterium tuberculosis Probable reductase 0.0129 0.1221 0.2288
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.01 0.0904 1
Loa Loa (eye worm) beta-lactamase 0.0078 0.066 0.1104
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Schistosoma mansoni thyroid hormone receptor 0.004 0.0245 0.0294
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0036 0.0062
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0018 0.5
Schistosoma mansoni lamin 0.0053 0.039 0.0475
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.0245 0.0398
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0108 0.1406
Leishmania major protein kinase, putative 0.0068 0.0551 0.6012
Echinococcus granulosus hypothetical protein 0.0067 0.054 0.0664
Plasmodium vivax glutathione reductase, putative 0.0056 0.0425 0.6337
Brugia malayi Calcitonin receptor-like protein seb-1 0.0551 0.5883 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.066 0.1104
Brugia malayi nuclear receptor RXR 0.0019 0.0011 0.0019
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.0245 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.0245 0.0398
Mycobacterium ulcerans beta-lactamase 0.0078 0.066 0.211
Loa Loa (eye worm) hypothetical protein 0.0078 0.066 0.1104
Loa Loa (eye worm) hypothetical protein 0.0028 0.0108 0.0165
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.066 0.7237
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 0.0245 0.0866
Mycobacterium tuberculosis Probable hydrolase 0.0078 0.066 0.122
Trichomonas vaginalis esterase, putative 0.0078 0.066 0.211
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0245 0.0234
Brugia malayi hypothetical protein 0.0019 0.0011 0.0019
Brugia malayi Protein kinase domain containing protein 0.0068 0.0551 0.0937
Loa Loa (eye worm) hypothetical protein 0.0053 0.039 0.0644
Loa Loa (eye worm) latrophilin receptor protein 2 0.0174 0.1726 0.2921
Echinococcus granulosus GPCR family 2 0.0174 0.1726 0.2155
Loa Loa (eye worm) hypothetical protein 0.0025 0.0075 0.0109
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.01 0.0904 1
Brugia malayi beta-lactamase family protein 0.0078 0.066 0.1121
Echinococcus granulosus geminin 0.074 0.7969 1
Schistosoma mansoni hypothetical protein 0.0174 0.1726 0.2155
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0245 0.0417
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.0245 0.0234
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.066 0.211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0333 0.3475 0.4353
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.0245 0.0398
Echinococcus multilocularis dual specificity 0.01 0.0904 0.0894
Treponema pallidum NADH oxidase 0.002 0.0018 0.5
Schistosoma mansoni coup transcription factor 0.004 0.0245 0.0294
Plasmodium vivax serine/threonine kinase-1, putative 0.0068 0.0551 0.8307
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0129 0.1221 0.2288
Schistosoma mansoni hypothetical protein 0.0174 0.1726 0.2155
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.0245 0.0294
Toxoplasma gondii thioredoxin reductase 0.0056 0.0425 0.6337
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0108 0.1018
Schistosoma mansoni nuclear hormone receptor 0.004 0.0245 0.0294
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0018 0.5
Onchocerca volvulus 0.004 0.0245 0.0866
Schistosoma mansoni glutaminase 0.0295 0.3058 0.3829
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.0245 0.0294
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0011 0.0019
Entamoeba histolytica protein kinase domain containing protein 0.01 0.0904 0.5
Schistosoma mansoni tar DNA-binding protein 0.0267 0.2749 0.344
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0036 0.0031
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0036 0.0031
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.066 0.211
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0043
Onchocerca volvulus 0.0078 0.066 0.24
Trichomonas vaginalis glutaminase, putative 0.0295 0.3058 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0068 0.0551 0.6012
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0333 0.3475 0.5907
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.066 0.211
Onchocerca volvulus 0.0053 0.039 0.14
Schistosoma mansoni tar DNA-binding protein 0.0267 0.2749 0.344
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0169 0.0198
Brugia malayi nuclear receptor NHR-88 0.004 0.0245 0.0417
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0018 0.0008
Loa Loa (eye worm) hypothetical protein 0.0052 0.0379 0.0626
Brugia malayi glutaminase DH11.1 0.0295 0.3058 0.5199
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0169 0.0198
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.039 0.0662
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0068 0.0551 0.6012
Echinococcus granulosus dual specificity 0.01 0.0904 0.1122
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0129 0.1221 0.2288
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0036 0.0025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 0.0245 0.0294
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.066 0.7237
Brugia malayi nuclear receptor RXR 0.0021 0.0036 0.0062
Echinococcus granulosus lamin 0.0053 0.039 0.0475
Onchocerca volvulus Protein ultraspiracle homolog 0.004 0.0245 0.0866
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.0245 0.0294
Loa Loa (eye worm) hypothetical protein 0.0026 0.0086 0.0127
Echinococcus multilocularis tar DNA binding protein 0.0267 0.2749 0.2741
Trichomonas vaginalis CMGC family protein kinase 0.0068 0.0551 0.1753
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.066 0.0814
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.066 0.7237
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0333 0.3475 0.4353
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0245 0.0417
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0036 0.0043
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.0245 0.0294
Echinococcus multilocularis geminin 0.074 0.7969 0.7966
Mycobacterium tuberculosis Probable esterase LipL 0.0078 0.066 0.122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.0245 0.0398
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.0245 0.0294
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.0245 0.0294
Brugia malayi hypothetical protein 0.0019 0.0011 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0333 0.3475 0.4353
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0068 0.0551 0.6012
Brugia malayi hypothetical protein 0.0021 0.0036 0.0062
Brugia malayi steroid hormone receptor 0.004 0.0245 0.0417
Leishmania major hypothetical protein, conserved 0.0078 0.066 0.7237
Brugia malayi ecdysone receptor 0.0019 0.0011 0.0019
Echinococcus granulosus FTZ F1 alpha 0.004 0.0245 0.0294
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0036 0.0031
Echinococcus multilocularis dual specificity protein kinase clk2 0.0068 0.0551 0.054
Brugia malayi nuclear hormone receptor family member nhr-6 0.0019 0.0011 0.0019
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Brugia malayi conserved hypotetical protein 0.0019 0.0011 0.0019
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0333 0.3475 0.3468
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.0245 0.0417
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0174 0.1726 0.1717
Leishmania major protein kinase, putative 0.0068 0.0551 0.6012
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0245 0.0417
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0245 0.0234
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0551 0.5883 1
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0904 0.1122
Loa Loa (eye worm) glutaminase 0.0295 0.3058 0.5189
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.0245 0.0417
Echinococcus multilocularis thioredoxin glutathione reductase 0.0056 0.0425 0.0414
Schistosoma mansoni hypothetical protein 0.0377 0.3959 0.4961
Schistosoma mansoni tar DNA-binding protein 0.0267 0.2749 0.344
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.01 0.0904 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.0245 0.0398
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0056 0.0425 0.0773
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0169 0.0198
Echinococcus granulosus thioredoxin glutathione reductase 0.0056 0.0425 0.0519
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0068 0.0551 0.6012
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0011 0.0019
Loa Loa (eye worm) hypothetical protein 0.0078 0.066 0.1104
Plasmodium vivax hypothetical protein, conserved 0.0078 0.066 1
Onchocerca volvulus 0.0078 0.066 0.24
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0086 0.0075
Entamoeba histolytica protein kinase, putative 0.01 0.0904 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0143 0.138 0.2589
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0108 0.1693
Brugia malayi Protein kinase domain containing protein 0.01 0.0904 0.1537
Brugia malayi beta-lactamase family protein 0.0078 0.066 0.1121
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0108 0.1693
Mycobacterium tuberculosis Conserved protein 0.0078 0.066 0.122
Brugia malayi beta-lactamase 0.0078 0.066 0.1121
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0043
Brugia malayi RNA recognition motif domain containing protein 0.0267 0.2749 0.4673
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.0245 0.0294
Toxoplasma gondii ABC1 family protein 0.0078 0.066 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.0245 0.0234
Brugia malayi TAR-binding protein 0.0267 0.2749 0.4673
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.066 0.0649
Loa Loa (eye worm) TAR-binding protein 0.0267 0.2749 0.4663
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0108 0.1018
Entamoeba histolytica protein kinase, putative 0.01 0.0904 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.066 0.0814
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.066 0.1121
Schistosoma mansoni hypothetical protein 0.074 0.7969 1
Echinococcus multilocularis musashi 0.0053 0.039 0.0379
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.039 0.0644
Mycobacterium tuberculosis Probable dehydrogenase 0.0129 0.1221 0.2288
Echinococcus multilocularis lamin 0.0053 0.039 0.0379
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.0245 0.0417
Echinococcus granulosus lamin dm0 0.0053 0.039 0.0475
Leishmania major trypanothione reductase 0.0056 0.0425 0.4586
Loa Loa (eye worm) intermediate filament protein 0.0053 0.039 0.0644
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0036 0.0062
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0018 0.0007
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.066 0.211
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.0245 0.0294
Schistosoma mansoni hypothetical protein 0.074 0.7969 1
Echinococcus multilocularis FTZ F1 alpha 0.004 0.0245 0.0234
Loa Loa (eye worm) hypothetical protein 0.0099 0.0893 0.1502
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0169 0.0158
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0129 0.1221 0.2288
Brugia malayi Pre-SET motif family protein 0.0232 0.2359 0.401
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0169 0.0198
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0078 0.066 0.122
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0169 0.0198
Schistosoma mansoni tar DNA-binding protein 0.0267 0.2749 0.344
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.066 0.1104
Brugia malayi nuclear hormone receptor family member odr-7 0.0019 0.0011 0.0019
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0174 0.1726 0.2155
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0086 0.0094
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Brugia malayi Thioredoxin reductase 0.0056 0.0425 0.0722
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0108 0.1406
Echinococcus multilocularis lamin dm0 0.0053 0.039 0.0379
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0129 0.1221 0.2288
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0019 0.0011 0.0019
Echinococcus granulosus intermediate filament protein 0.0053 0.039 0.0475
Entamoeba histolytica hypothetical protein 0.01 0.0904 0.5
Giardia lamblia Kinase, CMGC CLK 0.0068 0.0551 1
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.066 0.211
Mycobacterium tuberculosis Conserved protein 0.0078 0.066 0.122
Echinococcus multilocularis 0.0067 0.054 0.0529
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.0245 0.0294
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.0245 0.0417
Loa Loa (eye worm) RNA binding protein 0.0267 0.2749 0.4663
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0068 0.0551 0.0919
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.0245 0.0417
Schistosoma mansoni tar DNA-binding protein 0.0267 0.2749 0.344
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0043
Mycobacterium tuberculosis Probable lipase LipE 0.0078 0.066 0.122
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.0245 0.0417
Loa Loa (eye worm) hypothetical protein 0.0025 0.0075 0.0109
Trypanosoma brucei trypanothione reductase 0.0056 0.0425 0.4586
Schistosoma mansoni serine/threonine protein kinase 0.0068 0.0551 0.0678
Schistosoma mansoni hypothetical protein 0.0174 0.1726 0.2155
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0174 0.1726 0.2935
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0156 0.0181
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0551 0.5883 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0333 0.3475 0.4353
Loa Loa (eye worm) thioredoxin reductase 0.0056 0.0425 0.0704
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.0245 0.0417
Brugia malayi hypothetical protein 0.0028 0.0108 0.0184
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0078 0.066 0.122
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0245 0.0294
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0068 0.0551 0.8307
Echinococcus granulosus dual specificity protein kinase clk2 0.0068 0.0551 0.0678
Schistosoma mansoni intermediate filament proteins 0.0053 0.039 0.0475
Mycobacterium tuberculosis Conserved protein 0.0078 0.066 0.122
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0333 0.3475 0.3468
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0245 0.0417
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0174 0.1726 0.1717
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0245 0.0417
Brugia malayi Latrophilin receptor protein 2 0.0174 0.1726 0.2935
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.066 0.211
Brugia malayi Pre-SET motif family protein 0.0033 0.0169 0.0288
Brugia malayi glutathione reductase 0.0056 0.0425 0.0722
Loa Loa (eye worm) glutaminase 2 0.0295 0.3058 0.5189
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0108 0.1018
Brugia malayi ecdysteroid receptor 0.004 0.0245 0.0417
Mycobacterium tuberculosis Probable oxidoreductase 0.0143 0.138 0.2589
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0496 0.5277 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.01 0.0904 0.1521
Schistosoma mansoni lamin 0.0053 0.039 0.0475
Loa Loa (eye worm) hypothetical protein 0.004 0.0245 0.0398
Loa Loa (eye worm) hypothetical protein 0.0099 0.0893 0.1502
Loa Loa (eye worm) glutathione reductase 0.0056 0.0425 0.0704

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.14 nM Antagonist activity at bradykinin B1 receptor in human IMR90 cells assessed as inhibition of des-Arg-bradykinin-mediated calcium mobilization ChEMBL. 20015645

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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