Detailed information for compound 946325

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1048.2 | Formula: C51H69N17O8
  • H donors: 12 H acceptors: 11 LogP: 0.85 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCC[C@@H](C(=O)N[C@H]1CCc2nnn(c2)CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccccc1)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C
  • InChi: 1S/C51H69N17O8/c1-3-4-15-38(59-30(2)69)45(71)62-40-20-19-33-28-68(67-66-33)22-11-18-37(44(52)70)60-49(75)42(24-32-26-57-36-16-9-8-14-35(32)36)64-46(72)39(17-10-21-56-51(53)54)61-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-47(40)73)25-34-27-55-29-58-34/h5-9,12-14,16,26-29,37-43,57H,3-4,10-11,15,17-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,74)(H,62,71)(H,63,76)(H,64,72)(H,65,73)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/m0/s1
  • InChiKey: KRBJCNKRJSCANK-PMHRFVFWSA-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
Mus musculus melanocortin 4 receptor Starlite/ChEMBL References
Mus musculus melanocortin 3 receptor Starlite/ChEMBL References
Mus musculus melanocortin 5 receptor Starlite/ChEMBL References
Mus musculus melanocortin 1 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein melanocortin 5 receptor 372 aa 314 aa 21.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0035 0.0073 0.005
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.007 0.0181 0.0158
Brugia malayi CXXC zinc finger family protein 0.0028 0.0051 0.1322
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Loa Loa (eye worm) hypothetical protein 0.0027 0.0047 0.1352
Trypanosoma brucei DNA polymerase kappa, putative 0.0055 0.0137 0.0114
Echinococcus granulosus dna polymerase eta 0.008 0.0214 0.021
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.322 1 1
Giardia lamblia PHD finger protein 15 0.003 0.0059 0.0036
Schistosoma mansoni cpg binding protein 0.003 0.0056 0.0043
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0016 0.0004
Trypanosoma brucei eukaryotic translation initiation factor 2-alpha kinase 2 0.007 0.0181 0.0158
Brugia malayi ImpB/MucB/SamB family protein 0.008 0.0214 0.6466
Echinococcus multilocularis musashi 0.0027 0.0048 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Schistosoma mansoni terminal deoxycytidyl transferase 0.008 0.0214 0.0202
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0262 0.024
Echinococcus granulosus lamin dm0 0.0027 0.0048 0.0044
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0031 0.0061 0.8589
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0041 0.0019
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.322 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.0262 0.024
Echinococcus multilocularis cpg binding protein 0.003 0.0056 0.0051
Trypanosoma brucei polo-like protein kinase 0.0096 0.0262 0.024
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0051 0.1484
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.0142 0.0137
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0067 0.0481
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0218 0.0644 0.6736
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0102 0.0283 0.8647
Entamoeba histolytica hypothetical protein 0.0035 0.0073 0.005
Brugia malayi Bromodomain containing protein 0.003 0.0059 0.1561
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0211 0.0198
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0257 0.0245
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0041 0.0019
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0067 0.2558
Brugia malayi Thioredoxin reductase 0.0096 0.0262 0.7957
Trypanosoma brucei DNA polymerase IV, putative 0.008 0.0214 0.0192
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Entamoeba histolytica DNA repair and recombination protein, putative 0.322 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.0023 0.001
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0067 0.0062
Plasmodium falciparum thioredoxin reductase 0.0033 0.0067 0.2558
Trichomonas vaginalis rotamase, putative 0.01 0.0275 0.0253
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0084 0.0225 0.0203
Entamoeba histolytica hypothetical protein, conserved 0.322 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.016 0.484
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.0262 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0069 0.2052
Trypanosoma brucei DNA polymerase IV, putative 0.008 0.0214 0.0192
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.0142 0.4285
Echinococcus multilocularis geminin 0.0166 0.0481 0.0477
Brugia malayi MH2 domain containing protein 0.0116 0.0327 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0126 0.3812
Schistosoma mansoni lamin 0.0027 0.0048 0.0036
Trypanosoma brucei DNA polymerase eta, putative 0.008 0.0214 0.0192
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.0142 0.0137
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0257 0.0253
Loa Loa (eye worm) hypothetical protein 0.0013 0.0004 0.0048
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.0142 0.4709
Echinococcus granulosus intermediate filament protein 0.0027 0.0048 0.0044
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0059 0.0054
Trypanosoma cruzi DNA polymerase kappa, putative 0.008 0.0214 0.0192
Trypanosoma brucei protein kinase, putative 0.0057 0.0142 0.0119
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.0142 0.0119
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0073 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0113 0.009
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0009 0.0187
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0142 0.0129
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0023 0.0018
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0257 0.7857
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0067 0.1825
Echinococcus granulosus expressed protein 0.0102 0.0283 0.0278
Mycobacterium tuberculosis Probable dehydrogenase 0.0218 0.0644 0.6736
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Treponema pallidum NADH oxidase 0.0033 0.0067 1
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0283 0.0261
Schistosoma mansoni kinase 0.0049 0.0117 0.0104
Trypanosoma cruzi DNA polymerase kappa, putative 0.008 0.0214 0.0192
Trypanosoma brucei DNA polymerase kappa, putative 0.0055 0.0137 0.0114
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0257 0.7816
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.008 0.0214 0.6532
Trypanosoma brucei chrX additional, unordered contigs 0.0025 0.0041 0.0019
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.0262 1
Trichomonas vaginalis AGC family protein kinase 0.007 0.0181 0.0158
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0218 0.0644 0.6736
Echinococcus multilocularis lamin dm0 0.0027 0.0048 0.0044
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Toxoplasma gondii peptidylprolyl isomerase 0.01 0.0275 1
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0262 0.025
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0067 0.0044
Echinococcus multilocularis lamin 0.0027 0.0048 0.0044
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0067 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Trypanosoma cruzi DNA polymerase kappa, putative 0.008 0.0214 0.0192
Loa Loa (eye worm) hypothetical protein 0.0027 0.0048 0.14
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.1718
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0067 0.0481
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0048 0.14
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.0262 0.7995
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0113 0.009
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0142 0.0119
Loa Loa (eye worm) glutathione reductase 0.0096 0.0262 0.7995
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.008 0.0214 0.021
Trichomonas vaginalis DNA polymerase eta, putative 0.008 0.0214 0.0192
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0257 0.0253
Giardia lamblia Kinase, PLK 0.0096 0.0262 0.024
Brugia malayi polk-prov protein 0.0025 0.0041 0.1023
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0031 0.0061 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0059 0.0046
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.0274 0.027
Schistosoma mansoni intermediate filament proteins 0.0027 0.0048 0.0036
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0102 0.0283 0.8621
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0041 0.0019
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0013 0.0114
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0327 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.0262 0.8019
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0069 0.1901
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0067 0.0044
Loa Loa (eye worm) hypothetical protein 0.0025 0.0041 0.1191
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0597 0.1825 0.1807
Trypanosoma brucei hypothetical protein, conserved 0.0025 0.0041 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Mycobacterium tuberculosis Probable reductase 0.0218 0.0644 0.6736
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0067 0.2558
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0142 0.0119
Loa Loa (eye worm) hypothetical protein 0.008 0.0214 0.6532
Plasmodium falciparum DNA repair protein REV1, putative 0.0025 0.0041 0.1585
Trichomonas vaginalis rotamase, putative 0.0102 0.0283 0.0261
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.007 0.0181 0.0158
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0023 0.0866
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Onchocerca volvulus 0.0028 0.0051 0.0127
Loa Loa (eye worm) DEAH box polypeptide 35 0.0036 0.0076 0.2271
Entamoeba histolytica deoxycytidyl transferase, putative 0.008 0.0214 0.0192
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.01 0.0275 0.0253
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0073 0.0061
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.01 0.0275 0.0253
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0067 0.1753
Schistosoma mansoni DNA polymerase eta 0.008 0.0214 0.0202
Plasmodium falciparum phd finger protein, putative 0.003 0.0059 0.2237
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0283 0.0845 0.0824
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0597 0.1825 0.1807
Mycobacterium tuberculosis Conserved hypothetical protein 0.008 0.0214 0.208
Leishmania major trypanothione reductase 0.0096 0.0262 0.024
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0013 0.0008
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0118 0.3441
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0041 0.0019
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.008 0.0214 0.0192
Echinococcus multilocularis peregrin 0.003 0.0059 0.0054
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0067 0.1753
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.0142 0.0137
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0073 0.0069
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.0142 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0257 0.0245
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0067 0.0044
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0031 0.0061 0.0038
Trypanosoma brucei unspecified product 0.0055 0.0137 0.0114
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0327 1
Plasmodium falciparum thioredoxin reductase 0.0096 0.0262 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.0142 0.0119
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Onchocerca volvulus Alhambra homolog 0.003 0.0059 0.0481
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0242 0.0719 1
Trichomonas vaginalis conserved hypothetical protein 0.322 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0048 0.14
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Echinococcus granulosus dnaJ subfamily B 0.0399 0.1207 0.1203
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.0142 0.0119
Brugia malayi jmjC domain containing protein 0.0038 0.0083 0.2346
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0257 0.0253
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.01 0.0275 0.0253
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.01 0.0275 0.0253
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.004 0.0962
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0023 0.0431
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.0142 0.0119
Trypanosoma brucei trypanothione reductase 0.0096 0.0262 0.024
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0067 0.0044
Schistosoma mansoni hypothetical protein 0.003 0.0059 0.0046
Leishmania major protein kinase, putative,eukaryotic translation initiation factor 2-alpha kinase precursor, putative 0.007 0.0181 0.0158
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0059 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0257 0.0245
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0283 0.0845 0.0824
Loa Loa (eye worm) hypothetical protein 0.005 0.0118 0.3563
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0059 0.1421
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0242 0.0719 0.756
Echinococcus multilocularis expressed protein 0.0102 0.0283 0.0278
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0067 0.0062
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.0262 0.024
Mycobacterium tuberculosis Probable oxidoreductase 0.0242 0.0719 0.756
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.004 0.0962
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0031 0.0061 0.1506
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0067 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0023 0.0866
Mycobacterium ulcerans DNA polymerase IV 0.008 0.0214 0.208
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0262 0.024
Mycobacterium ulcerans DNA polymerase IV 0.008 0.0214 0.208
Schistosoma mansoni rotamase 0.0102 0.0283 0.0271
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0118 0.3441
Brugia malayi glutathione reductase 0.0096 0.0262 0.7957
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0102 0.0283 0.0261
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0083 0.2489
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0025 0.0041 0.0745
Trichomonas vaginalis STE family protein kinase 0.007 0.0181 0.0158
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.322 1 1
Leishmania major DNA polymerase eta, putative 0.008 0.0214 0.0192
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0118 0.3563
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0067 0.0044
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0067 1
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0096 0.0091
Brugia malayi ImpB/MucB/SamB family protein 0.008 0.0214 0.6466
Trypanosoma cruzi DNA damage repair protein, putative 0.0025 0.0041 0.0019
Trypanosoma brucei DNA polymerase IV, putative 0.008 0.0214 0.0192
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1607 0.4972 0.497
Trypanosoma brucei DNA polymerase kappa, putative 0.0055 0.0137 0.0114
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0262 0.024
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0067 0.0481
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0257 0.0253
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0149 0.0136
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.0262 0.2594
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0067 0.0054
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.322 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Leishmania major DNA polymerase kappa, putative 0.0025 0.0041 0.0019
Plasmodium falciparum glutathione reductase 0.0096 0.0262 1
Schistosoma mansoni ap endonuclease 0.0019 0.0023 0.001
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 0.0263 0.0259
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.322 1 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0013 0.0114
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0262 0.024
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0262 0.024
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0031 0.0061 0.0038
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0025 0.0041 0.0745
Plasmodium vivax hypothetical protein, conserved 0.003 0.0059 0.2237
Giardia lamblia DINP protein human, muc B family 0.008 0.0214 0.0192
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0142 0.0119
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0225 0.0203
Schistosoma mansoni hypothetical protein 0.0035 0.0073 0.0061
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0067 0.2558
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0059 0.1421
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0218 0.0644 0.6736
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0021 0.0389
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0083 0.0071
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.008 0.0214 0.0202
Giardia lamblia Rrm3p helicase 0.322 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.0262 0.024
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0069 0.0177 0.0155
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0218 0.0644 0.6736
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.322 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.0262 0.0258
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.01 0.0275 0.0253
Trypanosoma brucei DNA damage repair protein, putative 0.0025 0.0041 0.0019
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0067 0.0044
Mycobacterium ulcerans hypothetical protein 0.0315 0.0944 1
Echinococcus granulosus lamin 0.0027 0.0048 0.0044
Giardia lamblia DNA damage repair protein 0.0025 0.0041 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0067 0.0044
Echinococcus granulosus GPCR family 2 0.0016 0.0013 0.0008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0013 0.0008
Plasmodium vivax DNA repair protein REV1, putative 0.0025 0.0041 0.1585
Schistosoma mansoni lamin 0.0027 0.0048 0.0036
Echinococcus granulosus geminin 0.0166 0.0481 0.0477
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0025 0.0041 0.0745
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.008 0.0214 0.021
Schistosoma mansoni hypothetical protein 0.0034 0.0069 0.0057
Schistosoma mansoni DNA polymerase IV / kappa 0.0025 0.0041 0.0029
Echinococcus multilocularis GPCR, family 2 0.0016 0.0013 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0262 0.024
Trypanosoma cruzi DNA damage repair protein, putative 0.0025 0.0041 0.0019
Loa Loa (eye worm) hypothetical protein 0.0036 0.0076 0.2271
Schistosoma mansoni cpg binding protein 0.0028 0.0051 0.0038
Brugia malayi MAP kinase sur-1 0.0057 0.0142 0.4176
Trypanosoma brucei DNA polymerase kappa, putative 0.008 0.0214 0.0192
Schistosoma mansoni hypothetical protein 0.322 1 1
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0096 0.0091
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0142 0.0119
Entamoeba histolytica hypothetical protein 0.0035 0.0073 0.005
Trypanosoma brucei unspecified product 0.0055 0.0137 0.0114
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0225 0.0203
Brugia malayi PHD-finger family protein 0.003 0.0059 0.1561
Echinococcus multilocularis dna polymerase eta 0.008 0.0214 0.021
Trypanosoma cruzi DNA polymerase eta, putative 0.008 0.0214 0.0192
Echinococcus granulosus dna polymerase kappa 0.008 0.0214 0.021
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.0262 0.7982
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0084 0.0225 0.0203
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0597 0.1825 0.1807
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0079 0.0074
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0083 0.0071
Brugia malayi intermediate filament protein 0.0027 0.0048 0.1236
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0031 0.0061 0.0038
Mycobacterium ulcerans hypothetical protein 0.0025 0.0041 0.0204
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0242 0.0719 0.756
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0048 0.1236
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.0262 0.024
Toxoplasma gondii thioredoxin reductase 0.0096 0.0262 0.9463
Mycobacterium tuberculosis Conserved hypothetical protein 0.0315 0.0944 1
Leishmania major DNA polymerase eta, putative 0.0025 0.0041 0.0019
Entamoeba histolytica hypothetical protein 0.0035 0.0073 0.005
Leishmania major DNA polymerase kappa, putative 0.008 0.0214 0.0192
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0067 0.0481
Trypanosoma cruzi DNA polymerase kappa, putative 0.008 0.0214 0.0192
Trypanosoma brucei DNA damage repair protein, putative 0.0025 0.0041 0.0019
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.1207 0.1203
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0067 1
Brugia malayi Probable ATP-dependent helicase DHX35 0.0036 0.0076 0.2124
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0023 0.0609
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.0262 0.024
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0013 0.0008
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0067 0.2558
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0067 0.0044
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0067 0.0044
Trypanosoma cruzi DNA polymerase eta, putative 0.0025 0.0041 0.0019
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0083 0.0079
Loa Loa (eye worm) hypothetical protein 0.0016 0.0013 0.0298
Echinococcus granulosus cpg binding protein 0.003 0.0056 0.0051
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0283 0.0845 0.0824
Plasmodium vivax glutathione reductase, putative 0.0096 0.0262 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0067 0.0044
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.0142 0.0119
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0013 0.0008
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0013 0.0298
Plasmodium falciparum glutathione reductase 0.0033 0.0067 0.2558
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0262 0.024
Leishmania major DNA damage repair protein, putative 0.0025 0.0041 0.0019
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.0142 0.0137
Brugia malayi jmjC domain containing protein 0.01 0.0274 0.8357
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0129 0.4213
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.0142 0.0119
Plasmodium vivax serine/threonine protein kinase, putative 0.007 0.0181 0.6906
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.0041 0.0019
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0067 0.0044
Schistosoma mansoni hypothetical protein 0.0166 0.0481 0.0469
Schistosoma mansoni cpg binding protein 0.003 0.0056 0.0043
Brugia malayi hypothetical protein 0.0035 0.0073 0.2017
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.322 1 1
Leishmania major mitochondrial DNA polymerase beta 0.0597 0.1825 0.1807
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.0274 0.027
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 0.0263 0.0259
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.0262 0.0258
Echinococcus granulosus peregrin 0.003 0.0059 0.0054
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.008 0.0214 0.0192
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.322 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0067 0.0044
Schistosoma mansoni hypothetical protein 0.0399 0.1207 0.1196
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0059 0.1718
Echinococcus multilocularis dna polymerase kappa 0.008 0.0214 0.021
Trichomonas vaginalis CMGC family protein kinase 0.0057 0.0142 0.0119
Schistosoma mansoni hypothetical protein 0.0166 0.0481 0.0469
Toxoplasma gondii hypothetical protein 0.0096 0.0264 0.9551
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.008 0.0214 0.208
Trypanosoma brucei unspecified product 0.008 0.0214 0.0192
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0023 0.0018

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.11 nM Activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay ChEMBL. 25347033
EC50 (functional) = 0.22 nM Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay ChEMBL. 25347033
EC50 (functional) = 0.29 nM Activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay ChEMBL. 25347033
EC50 (functional) = 0.34 nM Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay ChEMBL. 25347033

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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