Detailed information for compound 211721

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 904.028 | Formula: C46H57N13O7
  • H donors: 11 H acceptors: 8 LogP: 1.03 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 3
  • SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3c(c2)cccc3)NC(=O)[C@@H](NC(=O)CCC(=O)NCCCC[C@@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)C(=O)N)Cc1c[nH]cn1
  • InChi: 1S/C46H57N13O7/c47-41(62)34-12-5-6-18-51-39(60)16-17-40(61)55-38(23-31-25-50-26-54-31)45(66)58-36(21-27-14-15-28-8-1-2-9-29(28)20-27)43(64)57-35(13-7-19-52-46(48)49)42(63)59-37(44(65)56-34)22-30-24-53-33-11-4-3-10-32(30)33/h1-4,8-11,14-15,20,24-26,34-38,53H,5-7,12-13,16-19,21-23H2,(H2,47,62)(H,50,54)(H,51,60)(H,55,61)(H,56,65)(H,57,64)(H,58,66)(H,59,63)(H4,48,49,52)/t34-,35+,36+,37-,38+/m1/s1
  • InChiKey: HAIHKNYZIMVIIW-LDVAZLSXSA-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 5 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 3 receptor Starlite/ChEMBL References
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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein melanocortin 5 receptor 325 aa 311 aa 20.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0027 0.0027
Schistosoma mansoni jumonji/arid domain-containing protein 0.0168 0.1235 0.2558
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.0916 0.1898
Echinococcus granulosus TGF beta signal transducer SmadC 0.008 0.0464 0.0961
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0245 0.2674
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0156 0.0156
Plasmodium vivax JmjC domain containing protein 0.0045 0.0158 0.2808
Plasmodium vivax hypothetical protein, conserved 0.0091 0.0563 1
Schistosoma mansoni tar DNA-binding protein 0.0463 0.381 0.7893
Schistosoma mansoni tar DNA-binding protein 0.0463 0.381 0.7893
Plasmodium vivax glutathione reductase, putative 0.005 0.02 0.3549
Brugia malayi mothers against decapentaplegic homolog 3 0.0036 0.0078 0.0078
Echinococcus granulosus muscleblind protein 0.0148 0.1061 0.2198
Loa Loa (eye worm) hypothetical protein 0.0045 0.0158 0.0158
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0123 0.0161
Brugia malayi MH2 domain containing protein 0.008 0.0464 0.0464
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0444 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.0027 0.0056
Trypanosoma cruzi hypothetical protein, conserved 0.0223 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0444 0.0444
Echinococcus multilocularis GPCR, family 2 0.022 0.1686 0.2214
Toxoplasma gondii PHD-finger domain-containing protein 0.0091 0.0563 0.6146
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0045 0.0158 0.0328
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0605 0.1252
Echinococcus granulosus neuropeptide s receptor 0.0526 0.4358 0.9027
Schistosoma mansoni hypothetical protein 0.003 0.0027 0.0056
Plasmodium vivax hypothetical protein, conserved 0.003 0.0027 0.0477
Echinococcus granulosus snurportin 1 0.0356 0.2874 0.5954
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0123 0.025
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0158 0.0158
Brugia malayi hypoxia-induced factor 1 0.0161 0.1169 0.1169
Brugia malayi hypothetical protein 0.0035 0.0076 0.0076
Plasmodium vivax thioredoxin reductase, putative 0.005 0.02 0.3549
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0695 0.5834 0.5834
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0045 0.0158 0.0777
Echinococcus granulosus lysine specific demethylase 5A 0.0168 0.1235 0.2558
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0463 0.381 0.381
Schistosoma mansoni hypothetical protein 0.022 0.1686 0.3494
Brugia malayi Muscleblind-like protein 0.0148 0.1061 0.1061
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0045 0.0158 0.0908
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0211 0.0437
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0282 0.2228 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.022 0.1686 0.3494
Schistosoma mansoni hypothetical protein 0.0579 0.4827 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0444 0.4851
Brugia malayi jmjC domain containing protein 0.0045 0.0158 0.0158
Schistosoma mansoni jumonji/arid domain-containing protein 0.0168 0.1235 0.2558
Schistosoma mansoni smad1 5 8 and 0.008 0.0464 0.0961
Plasmodium falciparum glutathione reductase 0.005 0.02 0.3549
Brugia malayi jmjC domain containing protein 0.0356 0.2879 0.2879
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0211 0.0946
Schistosoma mansoni protein phosphatase 2C 0.0045 0.0158 0.0328
Loa Loa (eye worm) RNA binding protein 0.0463 0.381 0.381
Mycobacterium tuberculosis Probable reductase 0.0113 0.0755 0.3003
Brugia malayi Smad1 0.008 0.0464 0.0464
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0138 0.028
Loa Loa (eye worm) hypothetical protein 0.0547 0.4543 0.4543
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0211 0.0419
Schistosoma mansoni smad1 5 8 and 0.008 0.0464 0.0961
Loa Loa (eye worm) hypothetical protein 0.0148 0.1061 0.1061
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0123 0.2177
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0158 0.0158
Loa Loa (eye worm) Smad1 0.008 0.0464 0.0464
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0091 0.0563 0.1167
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.0916 0.5332
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0444 0.161
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0211 0.0277
Brugia malayi MH1 domain containing protein 0.008 0.0464 0.0464
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0123 0.025
Echinococcus multilocularis snurportin 1 0.0356 0.2874 0.3773
Loa Loa (eye worm) MH2 domain-containing protein 0.008 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0307 0.2445 0.2445
Brugia malayi MH1 domain containing protein 0.0044 0.0152 0.0152
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0695 0.5834 0.5834
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.003 0.0027 0.0296
Brugia malayi jmjC domain containing protein 0.0045 0.0158 0.0158
Loa Loa (eye worm) MH2 domain-containing protein 0.1172 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0245 0.1291
Echinococcus granulosus JmjC domain containing protein 4 0.0045 0.0158 0.0328
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.0755 0.3003
Plasmodium vivax importin-beta 2, putative 0.0033 0.0058 0.1024
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0045 0.0158 0.0328
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0577 0.4805 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0091 0.0563 0.1167
Echinococcus granulosus jumonji domain containing protein 0.0127 0.0875 0.1813
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0058 0.0182
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0408 0.0846
Onchocerca volvulus 0.0038 0.0102 0.0225
Echinococcus granulosus jumonji domain containing 1A 0.0045 0.0158 0.0328
Echinococcus granulosus peregrin 0.0091 0.0563 0.1167
Echinococcus multilocularis JmjC domain containing protein 4 0.0045 0.0158 0.0208
Trypanosoma brucei trypanothione reductase 0.005 0.02 0.1024
Schistosoma mansoni ap endonuclease 0.0041 0.0123 0.0254
Brugia malayi PHD-finger family protein 0.0091 0.0563 0.0563
Schistosoma mansoni hypothetical protein 0.0475 0.3914 0.8109
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.0755 0.3003
Echinococcus multilocularis jumonji domain containing protein 0.0127 0.0875 0.1149
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0245 0.4349
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0577 0.4805 1
Echinococcus multilocularis transfer RNA-Lys 0.0038 0.0102 0.0134
Loa Loa (eye worm) PHD-finger family protein 0.0091 0.0563 0.0563
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.022 0.1686 0.2214
Brugia malayi bHLH-PAS transcription factor 0.0038 0.0102 0.0102
Trypanosoma brucei hypothetical protein, conserved 0.0223 0.1716 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0045 0.0158 0.1728
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0865 0.3883
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0444 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0036 0.0078 0.0173
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.0755 0.3003
Schistosoma mansoni tar DNA-binding protein 0.0463 0.381 0.7893
Brugia malayi Probable ClpP-like protease 0.0078 0.0444 0.0444
Loa Loa (eye worm) glutathione reductase 0.005 0.02 0.02
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0045 0.0158 0.1728
Plasmodium falciparum importin beta, putative 0.0033 0.0058 0.1024
Echinococcus granulosus neuropeptide receptor A26 0.0526 0.4358 0.9027
Loa Loa (eye worm) hypothetical protein 0.0045 0.0158 0.0158
Entamoeba histolytica hypothetical protein 0.0073 0.0408 0.0844
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0444 0.0921
Echinococcus multilocularis muscleblind protein 1 0.0148 0.1061 0.1393
Loa Loa (eye worm) hypothetical protein 0.003 0.0027 0.0027
Plasmodium falciparum phd finger protein, putative 0.0091 0.0563 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0899 0.7617 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0444 0.1994
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.022 0.1686 0.2214
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0444 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0444 0.4851
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0408 0.0536
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0444 0.0921
Echinococcus multilocularis TGF beta signal transducer SmadC 0.008 0.0464 0.0609
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0444 0.7891
Echinococcus granulosus single minded 2 0.0041 0.0129 0.0266
Brugia malayi MH1 domain containing protein 0.0044 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0174 0.1287 0.1287
Trypanosoma cruzi hypothetical protein, conserved 0.0223 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.1267 0.1267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0605 0.1252
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0123 0.07
Brugia malayi RNA, U transporter 1 0.0095 0.0595 0.0595
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0605 0.1252
Echinococcus multilocularis neuropeptide s receptor 0.0526 0.4358 0.5721
Schistosoma mansoni Smad4 0.0036 0.0078 0.0163
Toxoplasma gondii thioredoxin reductase 0.005 0.02 0.2183
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0865 0.3527
Echinococcus multilocularis lysine specific demethylase 6a 0.0045 0.0158 0.0208
Schistosoma mansoni tar DNA-binding protein 0.0463 0.381 0.7893
Brugia malayi latrophilin 2 splice variant baaae 0.0475 0.3914 0.3914
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0605 0.0605
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0123 0.0567
Brugia malayi hypothetical protein 0.0174 0.1287 0.1287
Schistosoma mansoni TGF-beta signal transducer Smad2 0.008 0.0464 0.0961
Echinococcus multilocularis smad 0.008 0.0464 0.0609
Schistosoma mansoni phd/f-box containing protein 0.0045 0.0158 0.0328
Brugia malayi PHD-finger family protein 0.003 0.0027 0.0027
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0916 0.3829
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0865 0.3527
Loa Loa (eye worm) hypothetical protein 0.0148 0.1061 0.1061
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.0123 0.0255
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0408 0.0846
Loa Loa (eye worm) hypothetical protein 0.0033 0.0058 0.0058
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Brugia malayi Importin beta-1 subunit 0.0033 0.0058 0.0058
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0356 0.2879 0.5964
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0245 0.4349
Brugia malayi Calcitonin receptor-like protein seb-1 0.0695 0.5834 0.5834
Schistosoma mansoni hypothetical protein 0.022 0.1686 0.3494
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.02 0.0414
Entamoeba histolytica hypothetical protein 0.0073 0.0408 0.0844
Echinococcus multilocularis peregrin 0.0091 0.0563 0.0739
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Brugia malayi glutathione reductase 0.005 0.02 0.02
Brugia malayi MH2 domain containing protein 0.008 0.0464 0.0464
Echinococcus multilocularis neuropeptide receptor A26 0.0526 0.4358 0.5721
Schistosoma mansoni hypothetical protein 0.0579 0.4827 1
Schistosoma mansoni smad 0.008 0.0464 0.0961
Loa Loa (eye worm) latrophilin receptor protein 2 0.022 0.1686 0.1686
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0245 0.1414
Schistosoma mansoni jumonji domain containing protein 0.0295 0.2343 0.4854
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0444 0.0583
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0356 0.2879 0.378
Echinococcus granulosus GPCR family 2 0.022 0.1686 0.3494
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0123 0.0097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0605 0.0794
Brugia malayi jmjC domain containing protein 0.0045 0.0158 0.0158
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.0755 0.3003
Brugia malayi jmjC domain containing protein 0.0168 0.1235 0.1235
Toxoplasma gondii exonuclease III APE 0.0041 0.0123 0.1341
Plasmodium falciparum thioredoxin reductase 0.005 0.02 0.3549
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.0916 0.1898
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0605 0.0794
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.003 0.0027 0.0477
Loa Loa (eye worm) thioredoxin reductase 0.005 0.02 0.02
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.0916 0.1898
Echinococcus multilocularis PHD finger protein rhinoceros 0.0091 0.0563 0.0739
Schistosoma mansoni ap endonuclease 0.0041 0.0123 0.0254
Schistosoma mansoni smad 0.0036 0.0078 0.0163
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0444 0.7891
Toxoplasma gondii PHD-finger domain-containing protein 0.0091 0.0563 0.6146
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0123 0.07
Entamoeba histolytica hypothetical protein 0.0073 0.0408 0.0844
Echinococcus multilocularis Smad4 0.008 0.0464 0.0609
Echinococcus granulosus Smad4 0.008 0.0464 0.0961
Brugia malayi AF-10 protein 0.003 0.0027 0.0027
Echinococcus multilocularis muscleblind protein 0.0148 0.1061 0.1393
Echinococcus multilocularis geminin 0.0579 0.4827 0.6337
Schistosoma mansoni importin beta-1 0.0033 0.0058 0.012
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0245 0.1414
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0123 0.07
Loa Loa (eye worm) nuclear factor I 0.0044 0.0152 0.0152
Echinococcus granulosus geminin 0.0579 0.4827 1
Brugia malayi TAR-binding protein 0.0463 0.381 0.381
Schistosoma mansoni tar DNA-binding protein 0.0463 0.381 0.7893
Loa Loa (eye worm) hypothetical protein 0.022 0.1686 0.1686
Brugia malayi Thioredoxin reductase 0.005 0.02 0.02
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0916 0.3829
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.022 0.1686 0.1686
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0183 0.0379
Echinococcus granulosus phd:f box containing protein 0.0045 0.0158 0.0328
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.022 0.1686 0.3494
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0027 0.0296
Loa Loa (eye worm) TAR-binding protein 0.0463 0.381 0.381
Brugia malayi MH2 domain containing protein 0.0036 0.0078 0.0078
Echinococcus granulosus mothers against decapentaplegic 2 0.0036 0.0078 0.0163
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.0916 0.3769
Treponema pallidum fructose-bisphosphate aldolase 0.0577 0.4805 1
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0123 0.025
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0605 0.0605
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0245 0.0245
Echinococcus granulosus PHD finger protein rhinoceros 0.0091 0.0563 0.1167
Schistosoma mansoni smad1 5 8 and 0.008 0.0464 0.0961
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0138 0.028
Schistosoma mansoni phosphatidylserine receptor 0.0045 0.0158 0.0328
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0029 0.0016 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.0036 0.0078 0.0078
Leishmania major trypanothione reductase 0.005 0.02 0.1151
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0547 0.4543 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0156 0.0205
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Echinococcus multilocularis jumonji domain containing 1A 0.0045 0.0158 0.0208
Loa Loa (eye worm) jmjC domain-containing protein 0.0188 0.1411 0.1411
Echinococcus multilocularis mothers against decapentaplegic 6 0.0036 0.0078 0.0103
Brugia malayi hypothetical protein 0.0073 0.0408 0.0408
Giardia lamblia PHD finger protein 15 0.0091 0.0563 0.094
Schistosoma mansoni aryl hydrocarbon receptor 0.0052 0.022 0.0456
Schistosoma mansoni hypothetical protein 0.0356 0.2874 0.5954
Brugia malayi Latrophilin receptor protein 2 0.022 0.1686 0.1686
Loa Loa (eye worm) transcription factor SMAD2 0.1172 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.02 0.0263
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0282 0.2228 1
Brugia malayi PAS domain containing protein 0.0052 0.022 0.022
Loa Loa (eye worm) hypoxia-induced factor 1 0.0161 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0036 0.0078 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0605 0.1252
Echinococcus multilocularis tar DNA binding protein 0.0463 0.381 0.5002
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0158 0.0158
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.0755 0.3388
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0356 0.2874 0.2874
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0183 0.0379
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0865 0.3527
Toxoplasma gondii hypothetical protein 0.0027 0 0.0003
Echinococcus granulosus importin subunit beta 1 0.0033 0.0058 0.012
Loa Loa (eye worm) hypothetical protein 0.0044 0.0152 0.0152
Loa Loa (eye worm) MH1 domain-containing protein 0.008 0.0464 0.0464
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0444 0.161
Brugia malayi RNA binding protein 0.0463 0.381 0.381
Brugia malayi Cytochrome P450 family protein 0.005 0.0204 0.0204
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0058 0.0076
Loa Loa (eye worm) hypothetical protein 0.0091 0.0563 0.0563
Brugia malayi Bromodomain containing protein 0.0091 0.0563 0.0563
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0156 0.0324
Leishmania major hypothetical protein, conserved 0.0223 0.1716 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0211 0.0419
Echinococcus multilocularis phd:f box containing protein 0.0045 0.0158 0.0208
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0058 0.0632
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.0755 0.3003
Echinococcus granulosus mothers against decapentaplegic 5 0.008 0.0464 0.0961
Brugia malayi hypothetical protein 0.0055 0.0245 0.0245
Loa Loa (eye worm) MH1 domain-containing protein 0.0036 0.0078 0.0078
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0058 0.0182
Schistosoma mansoni hypothetical protein 0.022 0.1686 0.3494
Echinococcus multilocularis lysine specific demethylase 5A 0.0168 0.1235 0.1621
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0123 0.0254
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.0916 0.1203
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0156 0.0156
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.0916 0.3829
Onchocerca volvulus 0.0307 0.2445 0.5383
Schistosoma mansoni hypothetical protein 0.022 0.1686 0.3494
Schistosoma mansoni Smad4 0.008 0.0464 0.0961
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0045 0.0158 0.0908
Echinococcus granulosus mothers against decapentaplegic 6 0.0036 0.0078 0.0163
Brugia malayi RNA recognition motif domain containing protein 0.0463 0.381 0.381
Giardia lamblia Fructose-bisphosphate aldolase 0.0577 0.4805 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0444 0.0924
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.0123 0.2177
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0123 0.0123
Schistosoma mansoni jumonji domain containing protein 0.0045 0.0158 0.0328
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0282 0.2228 1
Onchocerca volvulus Alhambra homolog 0.0091 0.0563 0.124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0605 0.1252
Schistosoma mansoni single-minded 0.0052 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.0695 0.5834 0.5834
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0577 0.4805 1
Echinococcus granulosus tar DNA binding protein 0.0463 0.381 0.7893
Echinococcus multilocularis mothers against decapentaplegic 5 0.008 0.0464 0.0609
Leishmania major hypothetical protein, conserved 0.0055 0.0245 0.1414
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.02 0.1151
Echinococcus multilocularis mothers against decapentaplegic 2 0.0036 0.0078 0.0103
Schistosoma mansoni hypothetical protein 0.0073 0.0408 0.0846
Entamoeba histolytica hypothetical protein 0.0073 0.0408 0.0844
Loa Loa (eye worm) hypothetical protein 0.0475 0.3914 0.3914
Brugia malayi jmjC domain containing protein 0.0045 0.0158 0.0158
Leishmania major hypothetical protein, conserved 0.0045 0.0158 0.0908
Plasmodium falciparum JmjC domain-containing protein, putative 0.0045 0.0158 0.2808
Brugia malayi MH1 domain containing protein 0.008 0.0464 0.0464
Schistosoma mansoni Smad4 0.0036 0.0078 0.0163
Echinococcus granulosus smad 0.008 0.0464 0.0961
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.02 0.0367
Brugia malayi hypothetical protein 0.0307 0.2445 0.2445
Echinococcus granulosus lysine specific demethylase 6a 0.0045 0.0158 0.0328
Loa Loa (eye worm) jmjC domain-containing protein 0.0168 0.1235 0.1235
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0245 0.4349
Brugia malayi N-terminal motif family protein 0.0547 0.4543 0.4543
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0045 0.0158 0.0208
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.0916 1
Leishmania major protein kinase, putative 0.003 0.0025 0.0128

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 170 nM Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. ChEMBL. 11606131
EC50 (functional) = 170 nM Increase in intracellular cAMP in CHO cells expressing human melanocortin receptor 5. ChEMBL. 11606131
Ki (binding) = 0.88 nM Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) ChEMBL. 11606131
Ki (binding) = 0.88 nM Binding affinity against human melanocortin receptor 4 (hMC4R) (concentration of the peptide at 50% specific binding) ChEMBL. 11606131
Ki (binding) = 47 nM Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) ChEMBL. 11606131
Ki (binding) = 47 nM Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding) ChEMBL. 11606131
Ki (binding) = 150 nM Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) ChEMBL. 11606131
Ki (binding) = 150 nM Binding affinity against human melanocortin receptor 5 (hMC5R) (concentration of the peptide at 50% specific binding) ChEMBL. 11606131
Selectivity ratio (binding) = 10 Ratio of binding affinity against hMC-3R to hMC4R was determined ChEMBL. 11606131
Selectivity ratio (binding) = 45 Ratio of binding affinity against hMC4R to hMC5R was determined ChEMBL. 11606131

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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