Detailed information for compound 508837

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 610.126 | Formula: C32H40ClF4N3O2
  • H donors: 1 H acceptors: 2 LogP: 6.13 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@@H](c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(cc1F)C(F)(F)F)C(C)(C)C)NC(=O)C
  • InChi: 1S/C32H40ClF4N3O2/c1-6-29(38-19(2)41)25-16-22(33)8-10-23(25)20-11-13-39(14-12-20)30(42)27-18-40(31(3,4)5)17-26(27)24-9-7-21(15-28(24)34)32(35,36)37/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,38,41)/t26-,27+,29-/m0/s1
  • InChiKey: JOPLEQJQVLGYIT-GKRYNVPLSA-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 melanocortin 4 receptor 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 0.0037 0.0266 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0622 0.1046
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0166 0.0279
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0037 0.0266 0.0718
Toxoplasma gondii adenosylhomocysteinase, putative 0.0523 0.5948 1
Schistosoma mansoni lipoxygenase 0.0123 0.1266 0.2129
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0026
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0068 0.0115
Schistosoma mansoni hypothetical protein 0.0021 0.0068 0.0115
Loa Loa (eye worm) thymidylate synthase 0.0113 0.1145 0.1925
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0057 0.0096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0377 0.0634
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0026 0.0044
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0407
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0166 0.0279
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0057 0.0096
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0268 0.2964 0.2964
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0633 0.1064
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0362 0.0609
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0115
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0362 0.0609
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.1191 0.2003
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0377 0.0634
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0622 0.1046
Brugia malayi RNA binding protein 0.0068 0.0622 0.1046
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0362 0.0609
Brugia malayi AMP-binding enzyme family protein 0.005 0.0414 0.0697
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0032 0.0196 0.033
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0622 0.1046
Toxoplasma gondii phosphofructokinase PFKII 0.0032 0.0196 0.033
Echinococcus multilocularis lamin dm0 0.0029 0.0166 0.0166
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1191 0.2003
Plasmodium falciparum adenosylhomocysteinase 0.0523 0.5948 1
Brugia malayi Adenosylhomocysteinase 0.0523 0.5948 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0068 0.0068
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0057 0.0096
Onchocerca volvulus 0.0029 0.0166 0.1451
Echinococcus granulosus intermediate filament protein 0.0029 0.0166 0.0279
Onchocerca volvulus 0.0029 0.0166 0.1451
Echinococcus multilocularis lamin 0.0029 0.0166 0.0166
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0377 0.0377
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.032 0.3565 0.5993
Schistosoma mansoni lamin 0.0029 0.0166 0.0279
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0523 0.5948 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0037 0.0266 0.0447
Schistosoma mansoni adenosylhomocysteinase 0.0324 0.3615 0.6078
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0026
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0622 0.1046
Mycobacterium ulcerans 2-dehydropantoate 2-reductase 0.011 0.1111 0.1867
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0523 0.5948 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0633 0.0633
Brugia malayi hypothetical protein 0.0021 0.0068 0.0115
Schistosoma mansoni intermediate filament proteins 0.0029 0.0166 0.0279
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0414 0.0697
Echinococcus granulosus lamin dm0 0.0029 0.0166 0.0279
Brugia malayi AMP-binding enzyme family protein 0.005 0.0414 0.0697
Plasmodium vivax acyl-CoA synthetase, putative 0.0037 0.0266 0.0447
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0633 0.1064
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0633 0.1064
Loa Loa (eye worm) hypothetical protein 0.0029 0.0166 0.0279
Loa Loa (eye worm) adenosylhomocysteinase 0.0523 0.5948 1
Brugia malayi hypothetical protein 0.0054 0.0454 0.0764
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0414 0.0697
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.1191 0.2003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0414 0.0697
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0026 0.0044
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0523 0.5948 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0523 0.5948 1
Echinococcus multilocularis thymidylate synthase 0.0113 0.1145 0.1145
Echinococcus granulosus tar DNA binding protein 0.0068 0.0622 0.1046
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0117 0.1191 0.2003
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.0697
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0622 0.0622
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0414 0.0697
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0113 0.1145 0.1925
Brugia malayi 6-phosphofructokinase 0.0117 0.1191 0.2003
Loa Loa (eye worm) acetyltransferase 0.0155 0.1646 0.2767
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.1191 0.2003
Mycobacterium ulcerans epoxide hydrolase EphA 0.032 0.3565 0.5993
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0026 0.0026
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0414 0.0697
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0196 0.033
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0026 0.0026
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0057 0.0096
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0026 0.0044
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0196 0.033
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0032 0.0196 0.1225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0377 0.0634
Schistosoma mansoni rab6-interacting 0.0021 0.0068 0.0115
Echinococcus granulosus adenosylhomocysteinase 0.0523 0.5948 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0362 0.0609
Echinococcus multilocularis dihydrofolate reductase 0.0115 0.117 0.117
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0414 0.0697
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0227 0.2487 0.4182
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0377 0.0634
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.1191 0.2003
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0414 0.0697
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0377 0.0634
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0523 0.5948 1
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0196 0.033
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0227 0.2487 0.4182
Brugia malayi phosphofructokinase 0.0117 0.1191 0.2003
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0026 0.0044
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0318 1
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0196 0.033
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1191 0.2003
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0414 0.0697
Echinococcus granulosus dihydrofolate reductase 0.0115 0.117 0.1967
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0523 0.5948 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0633 0.1064
Trichomonas vaginalis hypothetical protein 0.0063 0.0568 0.0955
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0057 0.0096
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0414 0.0697
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0318 0.0534
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0196 0.033
Brugia malayi AMP-binding enzyme family protein 0.005 0.0414 0.0697
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.1646 0.2767
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1191 0.2003
Trichomonas vaginalis conserved hypothetical protein 0.0284 0.3143 0.5284
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0414 0.0697
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.0447
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1191 0.2003
Mycobacterium ulcerans ketopantoate reductase, ApbA 0.0284 0.3143 0.5284
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0057 0.0096
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0057 0.0096
Echinococcus multilocularis RUN 0.0021 0.0068 0.0068
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0068 0.0068
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0113 0.1145 0.1925
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0414 0.0697
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0622 0.1046
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0622 0.1046
Schistosoma mansoni lipoxygenase 0.0086 0.0834 0.1401
Loa Loa (eye worm) hypothetical protein 0.0028 0.016 0.0269
Onchocerca volvulus 0.0021 0.0068 0.0596
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0032 0.0196 0.033
Echinococcus granulosus histone acetyltransferase KAT2B 0.0151 0.1595 0.2682
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0294 0.0294
Toxoplasma gondii exonuclease III APE 0.002 0.0057 0.0096
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0068 0.0115
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0057 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0057 0.0096
Loa Loa (eye worm) RNA binding protein 0.0068 0.0622 0.1046
Brugia malayi hypothetical protein 0.0021 0.0068 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0454 0.0764
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1191 0.2003
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0523 0.5948 1
Loa Loa (eye worm) phosphofructokinase 0.0117 0.1191 0.2003
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0227 0.2487 0.4182
Echinococcus granulosus transcription factor Dp 1 0.004 0.0294 0.0494
Loa Loa (eye worm) dihydrofolate reductase 0.0115 0.117 0.1967
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0414 0.0697
Schistosoma mansoni rab6-interacting 0.0021 0.0068 0.0115
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0407
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0196 0.033
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0407
Echinococcus multilocularis adenosylhomocysteinase 0.0523 0.5948 0.5948
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0115 0.117 0.1967
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0414 0.0697
Chlamydia trachomatis dihydrofolate reductase 0.0115 0.117 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0026 0.0044
Brugia malayi Dihydrofolate reductase 0.0115 0.117 0.1967
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0123 0.1266 0.1266
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1191 0.2003
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0227 0.2487 0.4182
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.1191 0.2003
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0633 0.1064
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0057 0.0096
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0044
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.1191 0.2003
Onchocerca volvulus 0.0021 0.0068 0.0596
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.0447
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0068 0.0115
Toxoplasma gondii 3-methyl-2-oxobutanoate hydroxymethyltransferase 0.0284 0.3143 0.5284
Brugia malayi TAR-binding protein 0.0068 0.0622 0.1046
Echinococcus granulosus lamin 0.0029 0.0166 0.0279
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0196 0.033
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.1646 0.1646
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0377 0.0634
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0026 0.0044
Onchocerca volvulus 0.005 0.0414 0.362
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0113 0.1145 0.1925
Schistosoma mansoni ap endonuclease 0.002 0.0057 0.0096
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0032 0.0196 0.033
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.1191 0.2003
Schistosoma mansoni loxhd1 0.0021 0.0068 0.0115
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0362 0.0609
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0035 0.0242 0.0407
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.0633 0.1064
Schistosoma mansoni adenosylhomocysteinase 0.0324 0.3615 0.6078
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0523 0.5948 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0021 0.0068 0.0115
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0054 0.0454 0.0764
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0057 0.0096
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.1191 0.2003
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0414 0.0697
Brugia malayi Doublecortin family protein 0.0021 0.0068 0.0115
Mycobacterium ulcerans thymidylate synthase 0.0113 0.1145 0.1925
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0371 0.0623
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0032 0.0196 0.533
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0068 0.0115
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0227 0.2487 0.4182
Schistosoma mansoni adenosylhomocysteinase 0.0324 0.3615 0.6078
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.0697
Schistosoma mansoni ap endonuclease 0.002 0.0057 0.0096
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0166 0.0279
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0196 0.033
Loa Loa (eye worm) hypothetical protein 0.005 0.0414 0.0697
Onchocerca volvulus 0.0113 0.1145 1
Brugia malayi dihydrofolate reductase family protein 0.0115 0.117 0.1967
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0377 0.0634
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0026 0.0044
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.1191 0.1191
Trichomonas vaginalis conserved hypothetical protein 0.0284 0.3143 0.5284
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0068 0.0068
Mycobacterium ulcerans hypothetical protein 0.005 0.0414 0.0697
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.0633 0.1064
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.0447
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.1191 0.2003
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0633 0.1064
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0026 0.0044
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0026 0.0044
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0196 0.033
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0026 0.0044
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0068 0.0115
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1191 0.2003
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0026 0.0044
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0622 0.1046
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0414 0.0697
Leishmania major S-adenosylhomocysteine hydrolase 0.0523 0.5948 1
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0523 0.5948 1
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0196 0.033
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0377 0.0377
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0115 0.117 0.1967
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0268 0.2964 0.4983
Loa Loa (eye worm) hypothetical protein 0.0037 0.0266 0.0447
Schistosoma mansoni dihydrofolate reductase 0.0115 0.117 0.1967
Schistosoma mansoni adenosylhomocysteinase 0.0324 0.3615 0.6078
Toxoplasma gondii 6-phosphofructokinase 0.0032 0.0196 0.033
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0115 0.117 0.1967
Brugia malayi 6-phosphofructokinase 0.0117 0.1191 0.2003
Echinococcus granulosus RUN 0.0021 0.0068 0.0115
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0318 0.0534
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0633 0.1064
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0057 0.0096
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0123 0.1266 0.2129
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0009 0.0015
Plasmodium falciparum acyl-CoA synthetase 0.0037 0.0266 0.0447
Brugia malayi thymidylate synthase 0.0113 0.1145 0.1925
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0009 0.0015
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0057 0.0096
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0026 0.0044
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0037 0.0266 0.0447
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0117 0.1191 1
Schistosoma mansoni polycystin 1-related 0.0021 0.0068 0.0115
Entamoeba histolytica adenosylhomocysteinase, putative 0.0523 0.5948 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0227 0.2487 0.4182
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0523 0.5948 1
Echinococcus granulosus thymidylate synthase 0.0113 0.1145 0.1925
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0068 0.0115
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0268 0.2964 0.4983
Echinococcus multilocularis musashi 0.0029 0.0166 0.0166
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0622 0.1046
Leishmania major ATP-dependent phosphofructokinase 0.0117 0.1191 0.2003
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0026 0.0044
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0414 0.0697
Schistosoma mansoni lamin 0.0029 0.0166 0.0279
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0057 0.0096
Schistosoma mansoni adenosylhomocysteinase 0.0523 0.5948 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0362 0.0609
Brugia malayi isocitrate dehydrogenase 0.0017 0.0026 0.0044
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0057 0.0096
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0057 0.0057
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0414 0.0697
Mycobacterium tuberculosis Conserved hypothetical protein 0.011 0.1111 0.1867
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.1646 0.2767
Brugia malayi intermediate filament protein 0.0029 0.0166 0.0279
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.0454 0.0764
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0164 0.1749 0.294

Activities

Activity type Activity value Assay description Source Reference
%max (functional) = 99 % Agonist activity at human MC4R expressed in CHO cells assessed as cAMP release relative to alpha-MSH ChEMBL. 18479920
%max (functional) = 99 % Agonist activity at human MC4R expressed in CHO cells assessed as cAMP release relative to alpha-MSH ChEMBL. 18479920
EC50 (functional) = 88.8 nM Agonist activity at human MC4R expressed in CHO cells assessed as cAMP release ChEMBL. 18479920
EC50 (functional) = 88.8 nM Agonist activity at human MC4R expressed in CHO cells assessed as cAMP release ChEMBL. 18479920
IC50 (binding) = 22.7 nM Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells ChEMBL. 18479920
IC50 (binding) = 22.7 nM Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells ChEMBL. 18479920

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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