Detailed information for compound 1077618

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 479.756 | Formula: C23H16BrClN4O
  • H donors: 2 H acceptors: 3 LogP: 6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)c(ncn2)Nc1cccc(c1)Br)/C=C/c1ccccc1Cl
  • InChi: 1S/C23H16BrClN4O/c24-16-5-3-6-17(12-16)29-23-19-13-18(9-10-21(19)26-14-27-23)28-22(30)11-8-15-4-1-2-7-20(15)25/h1-14H,(H,28,30)(H,26,27,29)/b11-8+
  • InChiKey: GQPVUNKQHFTJGO-DHZHZOJOSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0007 0.0009 0.0018
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.1036 0.3611
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0785 0.7195 1
Echinococcus granulosus neuropeptide s receptor 0.0007 0.0009 0.0018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0325 0.1122
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus multilocularis neuropeptide Y receptor 0.0007 0.0009 0.0005
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0007 0.0009 0.0005
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus multilocularis fmrfamide receptor 0.0007 0.0009 0.0005
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0007 0.0009 0.0012
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0012 0.0055 0.0041
Schistosoma mansoni biogenic amine receptor 0.0007 0.0009 0.0012
Echinococcus granulosus 7TM GPCR rhodopsin 0.0007 0.0009 0.0018
Echinococcus granulosus alpha 1A adrenergic receptor 0.0007 0.0009 0.0018
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0011 0.0047 0.0057
Echinococcus granulosus tm gpcr rhodopsin 0.0007 0.0009 0.0018
Schistosoma mansoni hypothetical protein 0.0007 0.0009 0.0012
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.0262 0.1077
Schistosoma mansoni biogenic amine receptor 0.0007 0.0009 0.0012
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0325 0.1112
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0251 0.2263 0.2335
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0325 0.0286
Leishmania major carbonic anhydrase family protein, putative 0.0053 0.0427 0.1901
Mycobacterium ulcerans beta-lactamase 0.0042 0.0325 0.0272
Schistosoma mansoni opsin-like receptor 0.0007 0.0009 0.0012
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0035 0.0262 0.2178
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.001 0.0035 0.0091
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni neuropeptide f receptor 76f 0.0007 0.0009 0.0012
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0325 0.1112
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0011 0.0047 0.0057
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0011 0.0047 0.0057
Onchocerca volvulus 0.0042 0.0325 0.1627
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0142 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0007 0.0009 0.0018
Entamoeba histolytica hypothetical protein 0.0035 0.0264 0.4268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.0902 0.3151
Schistosoma mansoni cpg binding protein 0.0029 0.0213 0.073
Echinococcus multilocularis Smad4 0.0009 0.0028 0.0032
Echinococcus granulosus dro:myosuppressin receptor 0.0007 0.0009 0.0018
Schistosoma mansoni adenoreceptor 0.0007 0.0009 0.0012
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0325 0.1122
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0007 0.0009 0.0005
Schistosoma mansoni smad1 5 8 and 0.0009 0.0028 0.008
Echinococcus granulosus neuropeptide receptor A26 0.0007 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.1112
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.1112
Brugia malayi beta-lactamase family protein 0.0042 0.0325 0.1112
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0007 0.0009 0.0012
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0011 0.0047 0.0144
Trypanosoma cruzi cyclic nucleotide phosphodiesterase 0.0228 0.2047 1
Echinococcus granulosus g protein coupled receptor 0.0007 0.0009 0.0018
Schistosoma mansoni hypothetical protein 0.0033 0.0251 0.0861
Mycobacterium leprae Probable transmembrane transport protein 0.0251 0.2263 1
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0148 0.0507
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0219 0.1962 0.6872
Loa Loa (eye worm) hypothetical protein 0.0011 0.0047 0.0132
Echinococcus granulosus G protein coupled receptor 139 0.0007 0.0009 0.0018
Brugia malayi Cytochrome P450 family protein 0.0022 0.0148 0.0489
Schistosoma mansoni biogenic amine (5HT) receptor 0.0007 0.0009 0.0012
Loa Loa (eye worm) glutaminase 0.0315 0.2852 1
Schistosoma mansoni amine GPCR 0.0007 0.0009 0.0012
Echinococcus granulosus cytochrome P450 2K1 0.0012 0.0055 0.0252
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi Cytochrome P450 family protein 0.0034 0.0258 0.0875
Schistosoma mansoni alpha-1 adrenergic receptor 0.0007 0.0009 0.0012
Loa Loa (eye worm) Smad1 0.0009 0.0028 0.0068
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Schistosoma mansoni hypothetical protein 0.0007 0.0009 0.0012
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Loa Loa (eye worm) hypothetical protein 0.0011 0.0047 0.0132
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0028 0.0116
Brugia malayi Cytochrome P450 family protein 0.0012 0.0055 0.0161
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0325 0.0325
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.1213 0.4234
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0142 0.0142
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0021 0.008
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0325 0.0325
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0104 0.0902 0.3142
Echinococcus granulosus hypothetical protein 0.0007 0.0009 0.0018
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0011 0.0047 0.0209
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi MH2 domain containing protein 0.0138 0.1213 0.4234
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0325 0.0325
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0047 0.0047
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0148 0.0489
Schistosoma mansoni neuropeptide F-like receptor 0.0007 0.0009 0.0012
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0035 0.0262 0.2178
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0011 0.0047 0.0209
Echinococcus granulosus somatostatin receptor 0.0007 0.0009 0.0018
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0011 0.0047 0.0057
Onchocerca volvulus 0.0042 0.0325 0.1627
Mycobacterium ulcerans integral membrane transporter 0.0035 0.0262 0.0208
Echinococcus granulosus carbonic anhydrase 0.0118 0.1036 0.5266
Schistosoma mansoni smad1 5 8 and 0.0009 0.0028 0.008
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0142 0.3426
Schistosoma mansoni hypothetical protein 0.0033 0.0251 0.0861
Echinococcus granulosus g protein coupled receptor 0.0007 0.0009 0.0018
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0011 0.0047 0.0132
Schistosoma mansoni hypothetical protein 0.0033 0.0251 0.0861
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0011 0.0047 0.0209
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi Cytochrome P450 family protein 0.0022 0.0148 0.0489
Echinococcus granulosus rhodopsin orphan GPCR 0.0007 0.0009 0.0018
Schistosoma mansoni Smad4 0.0009 0.0028 0.008
Schistosoma mansoni hypothetical protein 0.0072 0.0609 0.2121
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0007 0.0009 0.0005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.0902 0.1248
Echinococcus granulosus fmrfamide receptor 0.0007 0.0009 0.0018
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi MH1 domain containing protein 0.0009 0.0028 0.0068
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni carbonic anhydrase-related 0.0118 0.1036 0.3619
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.0902 0.1248
Loa Loa (eye worm) beta-lactamase 0.0042 0.0325 0.1112
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0219 0.1962 0.6868
Echinococcus multilocularis neuropeptide s receptor 0.0007 0.0009 0.0005
Echinococcus granulosus allatostatin A receptor 0.0007 0.0009 0.0018
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0028 0.0068
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0007 0.0009 0.0012
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0251 0.0341
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0325 0.1392
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0011 0.0047 0.0132
Echinococcus granulosus GPCR family 2 0.0033 0.0251 0.1253
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0012 0.0055 0.0041
Brugia malayi MH2 domain containing protein 0.0009 0.0028 0.0068
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0142 0.0477
Schistosoma mansoni neuropeptide receptor 0.0007 0.0009 0.0012
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.1036 0.3611
Echinococcus granulosus orexin receptor type 2 0.0007 0.0009 0.0018
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0142 0.019
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0219 0.1962 0.6872
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0011 0.0047 0.0209
Echinococcus granulosus carbonic anhydrase 0.0118 0.1036 0.5266
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0007 0.0009 0.0012
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Mycobacterium ulcerans hypothetical protein 0.0042 0.0325 0.0272
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0011 0.0047 0.0132
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0007 0.0009 0.0012
Echinococcus multilocularis carbonic anhydrase II 0.0219 0.1962 0.2721
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.1213 0.4234
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0007 0.0009 0.0005
Trichomonas vaginalis glutaminase, putative 0.0315 0.2852 0.2852
Schistosoma mansoni amine GPCR 0.0007 0.0009 0.0012
Echinococcus multilocularis somatostatin receptor 0.0007 0.0009 0.0005
Echinococcus multilocularis 0.0012 0.0055 0.0068
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0035 0.0262 0.0208
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0022
Schistosoma mansoni growth hormone secretagogue receptor 0.0007 0.0009 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0047 0.0047
Echinococcus multilocularis neuropeptides capa receptor 0.0007 0.0009 0.0005
Echinococcus multilocularis GPCR, family 2 0.0033 0.0251 0.0341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.0902 0.3151
Echinococcus granulosus neuropeptide receptor 0.0007 0.0009 0.0018
Echinococcus granulosus neuropeptide Y receptor 0.0007 0.0009 0.0018
Schistosoma mansoni neuropeptide receptor 0.0007 0.0009 0.0012
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0011 0.0047 0.0144
Echinococcus granulosus 7tm_1 domain containing protein 0.0007 0.0009 0.0018
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0325 0.0286
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0325 0.0286
Loa Loa (eye worm) hypothetical protein 0.0118 0.1036 0.3611
Echinococcus granulosus biogenic amine 5HT receptor 0.0007 0.0009 0.0018
Schistosoma mansoni carbonic anhydrase-related 0.0118 0.1036 0.3619
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0251 0.085
Schistosoma mansoni hypothetical protein 0.0035 0.0264 0.0906
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0011 0.0047 0.0209
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0142 0.0477
Echinococcus multilocularis carbonic anhydrase 0.0118 0.1036 0.1433
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0148 0.0507
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0007 0.0009 0.0005
Echinococcus multilocularis g protein coupled receptor 0.0007 0.0009 0.0005
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0219 0.1962 0.6868
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0011 0.0047 0.0057
Schistosoma mansoni hypothetical protein 0.0033 0.0251 0.0861
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0304 0.2748 0.2847
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0142 0.0697
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.2391 0.2469
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0325 0.1392
Echinococcus granulosus tm gpcr rhodopsin 0.0007 0.0009 0.0018
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus granulosus g-protein coupled receptor 0.0007 0.0009 0.0018
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0007 0.0009 0.0012
Loa Loa (eye worm) hypothetical protein 0.0033 0.0251 0.085
Echinococcus multilocularis neuropeptide receptor 0.0007 0.0009 0.0005
Echinococcus granulosus smad 0.0009 0.0028 0.0116
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Trypanosoma brucei carbonic anhydrase-like protein 0.0219 0.1962 0.9572
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0142 0.0468
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni neuropeptide receptor 0.0007 0.0009 0.0012
Brugia malayi beta-lactamase 0.0042 0.0325 0.1112
Mycobacterium ulcerans glutaminase 0.0315 0.2852 0.2813
Loa Loa (eye worm) hypothetical protein 0.0011 0.0047 0.0132
Mycobacterium ulcerans epoxide hydrolase EphA 0.0175 0.1554 0.1507
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0012 0.0055 0.0041
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0175 0.1554 0.1584
Echinococcus granulosus peptide allatostatin:somatostatin 0.0007 0.0009 0.0018
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0011 0.0047 0.0047
Loa Loa (eye worm) cytochrome P450 0.0012 0.0055 0.0161
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0325 0.1633
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0219 0.1962 0.9572
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0011 0.0047 0.0132
Mycobacterium tuberculosis Conserved protein 0.0042 0.0325 0.0286
Schistosoma mansoni hypothetical protein 0.0007 0.0009 0.0012
Leishmania major hypothetical protein, conserved 0.0228 0.2047 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0007 0.0009 0.0018
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0011 0.0047 0.0132
Trypanosoma brucei 3', 5'-cyclic nucleotide phosphodiesterase, putative 0.0228 0.2047 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0258 0.0875
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0007 0.0009 0.0018
Leishmania major cytochrome p450-like protein 0.0022 0.0148 0.0507
Echinococcus multilocularis dro:myosuppressin receptor 0.0007 0.0009 0.0005
Schistosoma mansoni biogenic amine receptor 0.0007 0.0009 0.0012
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0007 0.0009 0.0005
Entamoeba histolytica hypothetical protein 0.0035 0.0264 0.4268
Schistosoma mansoni amine GPCR 0.0007 0.0009 0.0012
Echinococcus granulosus tm gpcr rhodopsin 0.0007 0.0009 0.0018
Trichomonas vaginalis esterase, putative 0.0042 0.0325 0.0325
Echinococcus granulosus rhodopsin orphan GPCR 0.0007 0.0009 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0325 0.1392
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0325 0.0444
Loa Loa (eye worm) hypothetical protein 0.0106 0.0918 0.3198
Schistosoma mansoni hypothetical protein 0.0007 0.0009 0.0012
Echinococcus granulosus neuropeptides capa receptor 0.0007 0.0009 0.0018
Toxoplasma gondii hypothetical protein 0.0118 0.1036 1
Schistosoma mansoni hypothetical protein 0.0012 0.0055 0.0173
Echinococcus multilocularis serotonin receptor 0.0007 0.0009 0.0005
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0028 0.008
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0219 0.1962 0.9572
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0142 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0011 0.0047 0.0047
Onchocerca volvulus 0.0218 0.1952 1
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0325 0.0286
Schistosoma mansoni glutaminase 0.0315 0.2852 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0007 0.0009 0.0012
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0028 0.0032
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0264 0.1319
Echinococcus granulosus neuropeptide receptor 0.0007 0.0009 0.0018
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0007 0.0009 0.0005
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.0262 0.1077
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0142 0.0142
Loa Loa (eye worm) carbonic anhydrase 3 0.0219 0.1962 0.6868
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0487 0.169
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Schistosoma mansoni opsin-like receptor 0.0007 0.0009 0.0012
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0118 0.1036 0.3611
Toxoplasma gondii ABC1 family protein 0.0042 0.0325 0.2816
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0325 0.0325
Echinococcus granulosus rhodopsin orphan GPCR 0.0007 0.0009 0.0018
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0007 0.0009 0.0012
Brugia malayi CXXC zinc finger family protein 0.0028 0.0199 0.0667
Brugia malayi MH2 domain containing protein 0.0009 0.0028 0.0068
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0028 0.0032
Schistosoma mansoni cpg binding protein 0.0029 0.0213 0.073
Echinococcus granulosus carbonic anhydrase 0.0118 0.1036 0.5266
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0251 0.1253
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0325 0.1224
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0325 0.0286
Echinococcus multilocularis G-protein coupled receptor, putative 0.0007 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.1112
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0264 0.0359
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0142 0.0477
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0325 0.0325
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0007 0.0009 0.0005
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0609 0.2112
Echinococcus granulosus Smad4 0.0009 0.0028 0.0116
Mycobacterium leprae Probable lipase LipE 0.0042 0.0325 0.1224
Echinococcus granulosus neuropeptide FF receptor 2 0.0007 0.0009 0.0018
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0251 0.085
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.0902 0.4585
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.1112
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0325 0.0272
Mycobacterium ulcerans lipase LipD 0.0042 0.0325 0.0272
Echinococcus multilocularis carbonic anhydrase 0.0118 0.1036 0.1433
Echinococcus multilocularis rhodopsin orphan GPCR 0.0007 0.0009 0.0005
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0028 0.0116
Echinococcus multilocularis g-protein coupled receptor 0.0007 0.0009 0.0005
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0251 0.0341
Schistosoma mansoni carbonic anhydrase 0.0053 0.0427 0.148
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Mycobacterium ulcerans carbonic anhydrase 0.0053 0.0427 0.0374
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0118 0.1036 0.3611
Echinococcus granulosus carbonic anhydrase II 0.0219 0.1962 1
Schistosoma mansoni myosin xvIII 0.0007 0.0009 0.0012
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1037 0.9515 1
Schistosoma mansoni ap endonuclease 0.0022 0.0142 0.0479
Schistosoma mansoni amine GPCR 0.0007 0.0009 0.0012
Plasmodium vivax sulfate transporter, putative 0.0035 0.0262 0.7733
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.0918 0.3198
Leishmania major carbonic anhydrase-like protein 0.0219 0.1962 0.9572
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0251 0.085
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0264 0.0906
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0007 0.0009 0.0012
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0011 0.0047 0.0057
Brugia malayi hypothetical protein 0.0035 0.0264 0.0895
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0007 0.0009 0.0005
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus multilocularis allatostatin A receptor 0.0007 0.0009 0.0005
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0325 0.0272
Leishmania major cytochrome p450-like protein 0.0012 0.0055 0.0041
Onchocerca volvulus Putative sulfate transporter 0.0218 0.1952 1
Echinococcus multilocularis cpg binding protein 0.0029 0.0213 0.0289
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Schistosoma mansoni amine GPCR 0.0007 0.0009 0.0012
Schistosoma mansoni smad1 5 8 and 0.0009 0.0028 0.008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Leishmania major cytochrome p450-like protein 0.0012 0.0055 0.0041
Echinococcus multilocularis neuropeptide FF receptor 2 0.0007 0.0009 0.0005
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus multilocularis g protein coupled receptor 0.0007 0.0009 0.0005
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0007 0.0009 0.0018
Echinococcus multilocularis neuropeptide Y receptor 0.0007 0.0009 0.0005
Schistosoma mansoni smad 0.0009 0.0028 0.008
Schistosoma mansoni histamine h1 receptor 0.0007 0.0009 0.0012
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0428 0.3861
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0118 0.1036 0.3619
Schistosoma mansoni opsin-like receptor 0.0007 0.0009 0.0012
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0011 0.0047 0.0057
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0012 0.0055 0.0041
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus granulosus rhodopsin orphan GPCR 0.0007 0.0009 0.0018
Mycobacterium tuberculosis Conserved protein 0.0042 0.0325 0.0286
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0118 0.1036 0.3611
Entamoeba histolytica hypothetical protein 0.0035 0.0264 0.4268
Loa Loa (eye worm) glutaminase 2 0.0315 0.2852 1
Entamoeba histolytica hypothetical protein 0.0035 0.0264 0.4268
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0007 0.0009 0.0005
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus multilocularis neuropeptide receptor A26 0.0007 0.0009 0.0005
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0011 0.0047 0.0132
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0021 0.0043
Schistosoma mansoni cytochrome P450 0.0012 0.0055 0.0173
Echinococcus multilocularis neuropeptide receptor 0.0007 0.0009 0.0005
Echinococcus multilocularis G protein coupled receptor 139 0.0007 0.0009 0.0005
Echinococcus multilocularis orexin receptor type 2 0.0007 0.0009 0.0005
Brugia malayi glutaminase DH11.1 0.0315 0.2852 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0104 0.0902 0.3142
Echinococcus granulosus g protein coupled receptor 0.0007 0.0009 0.0018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.0902 0.4585
Echinococcus granulosus serotonin receptor 0.0007 0.0009 0.0018
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0011 0.0047 0.0209
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0007 0.0009 0.0012
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0007 0.0009 0.0012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.0902 0.3151
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0035 0.0262 0.1077
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0011 0.0047 0.0057
Echinococcus multilocularis serotonin receptor 0.0007 0.0009 0.0005
Echinococcus granulosus neuropeptide Y receptor 0.0007 0.0009 0.0018
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0007 0.0009 0.0012
Brugia malayi F/Y-rich N-terminus family protein 0.0008 0.002 0.0039
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Plasmodium falciparum carbonic anhydrase 0.0118 0.1036 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0325 0.0286
Loa Loa (eye worm) hypothetical protein 0.0011 0.0047 0.0132
Echinococcus granulosus biogenic amine 5HT receptor 0.0007 0.0009 0.0018
Echinococcus granulosus sex peptide receptor 0.0007 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.1112
Brugia malayi MH1 domain containing protein 0.0009 0.0028 0.0068
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0148 0.0489
Echinococcus multilocularis carbonic anhydrase 0.0118 0.1036 0.1433
Echinococcus multilocularis g protein coupled receptor 0.0007 0.0009 0.0005
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0325 0.0286
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0142 0.0092
Loa Loa (eye worm) hypothetical protein 0.0118 0.1036 0.3611
Echinococcus granulosus rhodopsin orphan GPCR 0.0007 0.0009 0.0018
Echinococcus multilocularis smad 0.0009 0.0028 0.0032
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0199 0.0667
Toxoplasma gondii cytochrome p450 superfamily protein 0.0012 0.0055 0.0083
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0251 0.1253
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0007 0.0009 0.0012
Loa Loa (eye worm) hypothetical protein 0.0072 0.0609 0.2112
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0053 0.0427 0.1685
Echinococcus granulosus tachykinin peptides receptor 99D 0.0007 0.0009 0.0018
Brugia malayi Smad1 0.0009 0.0028 0.0068
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0219 0.1962 0.6868
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0011 0.0047 0.0132
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0142 0.0088
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0007 0.0009 0.0005
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni neuropeptide receptor 0.0007 0.0009 0.0012
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0028 0.0068
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus multilocularis neuropeptides capa receptor 0.0007 0.0009 0.0005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.0918 0.3198
Toxoplasma gondii exonuclease III APE 0.0022 0.0142 0.0965
Loa Loa (eye worm) PDE1B protein 0.0011 0.0047 0.0132
Schistosoma mansoni carbonic anhydrase 0.0118 0.1036 0.3619
Schistosoma mansoni carbonic anhydrase-related 0.0118 0.1036 0.3619
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0007 0.0009 0.0005
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0142 0.0965
Entamoeba histolytica carbonic anhydrase, putative 0.0053 0.0427 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0011 0.0047 0.0209
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0011 0.0047 0.0144
Schistosoma mansoni ap endonuclease 0.0022 0.0142 0.0479
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0011 0.0047 0.0209
Onchocerca volvulus 0.0042 0.0325 0.1627
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0011 0.0047 0.0047
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0011 0.0047 0.0144
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0325 1
Echinococcus granulosus neuropeptides capa receptor 0.0007 0.0009 0.0018
Trichomonas vaginalis calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0042 0.0325 0.1112
Onchocerca volvulus 0.0028 0.0199 0.0976
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0007 0.0009 0.0018
Brugia malayi cytochrome P450 0.0012 0.0055 0.0161
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0142 0.0468
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.0918 0.3198
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0007 0.0009 0.0018
Brugia malayi beta-lactamase family protein 0.0042 0.0325 0.1112
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0148 0.0489
Echinococcus multilocularis fmrfamide receptor 0.0007 0.0009 0.0005
Schistosoma mansoni biogenic amine (5HT) receptor 0.0007 0.0009 0.0012
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0035 0.0262 0.0208
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0007 0.0009 0.0012
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0148 0.0507
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.0148 0.0094
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0007 0.0009 0.0005
Chlamydia trachomatis sulfate transporter 0.0035 0.0262 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0142 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0007 0.0009 0.0018
Echinococcus granulosus cpg binding protein 0.0029 0.0213 0.1062
Schistosoma mansoni cpg binding protein 0.0028 0.0199 0.0678
Mycobacterium tuberculosis Conserved protein 0.0042 0.0325 0.0286
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0012 0.0055 0.0041
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0142 0.0477
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0007 0.0009 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0047 0.0047
Schistosoma mansoni neuropeptide F-like receptor 0.0007 0.0009 0.0012
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0011 0.0047 0.0047
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0118 0.1036 0.3611
Echinococcus multilocularis sex peptide receptor 0.0007 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.0118 0.1036 0.3611
Leishmania major hypothetical protein, conserved 0.0042 0.0325 0.1392

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2 ug ml-1 Antiproliferative activity against mouse B16F10 cells assessed as inhibition of serum-stimulated cell growth after 48 hrs by MTT assay ChEMBL. 21763148
IC50 (functional) = 6.63 ug ml-1 Antiproliferative activity against human A549 cells after 48 hrs by MTT assay ChEMBL. 21763148

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 21763148
Homo sapiens ChEMBL23 21763148

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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