Detailed information for compound 1746174

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1082.3 | Formula: C52H67N13O9S2
  • H donors: 13 H acceptors: 10 LogP: 0.65 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)N)C(SSC[C@@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)C(=O)N[C@H](C(=O)N)[C@H](O)C)(C)C
  • InChi: 1S/C52H67N13O9S2/c1-29(66)42(44(55)67)64-50(73)41-27-75-76-52(2,3)43(65-45(68)35(54)21-30-13-6-4-7-14-30)51(74)62-40(24-33-26-56-28-58-33)49(72)60-38(22-31-15-8-5-9-16-31)47(70)59-37(19-12-20-53)46(69)61-39(48(71)63-41)23-32-25-57-36-18-11-10-17-34(32)36/h4-11,13-18,25-26,28-29,35,37-43,57,66H,12,19-24,27,53-54H2,1-3H3,(H2,55,67)(H,56,58)(H,59,70)(H,60,72)(H,61,69)(H,62,74)(H,63,71)(H,64,73)(H,65,68)/t29-,35-,37+,38+,39-,40+,41-,42+,43-/m1/s1
  • InChiKey: MWKMCIFWZIUKLZ-GQVYTNTCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus melanocortin 1 receptor Starlite/ChEMBL References
Mus musculus melanocortin 5 receptor Starlite/ChEMBL References
Rattus norvegicus Melanocortin receptor 3 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
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Melanocortin receptor 3   323 aa 337 aa 20.2 %
Echinococcus granulosus allatostatin A receptor Melanocortin receptor 3   323 aa 320 aa 19.7 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Melanocortin receptor 3   323 aa 305 aa 22.3 %
Echinococcus multilocularis allatostatin A receptor Melanocortin receptor 3   323 aa 320 aa 19.7 %
Schistosoma mansoni adenoreceptor Melanocortin receptor 3   323 aa 320 aa 24.4 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Melanocortin receptor 3   323 aa 320 aa 22.5 %
Schistosoma mansoni opsin-like receptor Melanocortin receptor 3   323 aa 279 aa 20.4 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Melanocortin receptor 3   323 aa 319 aa 24.1 %
Onchocerca volvulus Melanocortin receptor 3   323 aa 360 aa 24.7 %
Schistosoma mansoni neuropeptide receptor Melanocortin receptor 3   323 aa 291 aa 21.3 %
Echinococcus multilocularis neuropeptide receptor Melanocortin receptor 3   323 aa 338 aa 24.3 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Melanocortin receptor 3   323 aa 291 aa 19.9 %
Schistosoma mansoni peptide (allatostatin)-like receptor Melanocortin receptor 3   323 aa 319 aa 20.4 %
Brugia malayi hypothetical protein melanocortin 5 receptor 372 aa 314 aa 21.0 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Melanocortin receptor 3   323 aa 335 aa 25.4 %
Toxoplasma gondii hypothetical protein Melanocortin receptor 3   323 aa 280 aa 23.2 %
Echinococcus granulosus neuropeptide receptor Melanocortin receptor 3   323 aa 338 aa 24.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.1652 0.2815
Schistosoma mansoni ap endonuclease 0.0017 0.0495 0.0495
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.2786 0.5126
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0086 0.4993 0.4993
Brugia malayi jmjC domain containing protein 0.0015 0.0344 0.04
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.1652 0.2815
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0086 0.4993 0.4993
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0026 0.1084 0.1368
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.2097 0.2097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.2097 0.2097
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0162 1 1
Loa Loa (eye worm) inositol-1 0.0035 0.1652 0.1926
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0017 0.0464 0.0464
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0052 0.2786 1
Giardia lamblia Sentrin specific protease, putative 0.0026 0.1084 0.1368
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0052 0.2786 0.5253
Brugia malayi transcriptional regulator, Sir2 family protein 0.0017 0.0464 0.0541
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0946 0.2073
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.2157 0.3738
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0017 0.0495 0.0495
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4993 1
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0344 0.0344
Loa Loa (eye worm) transcriptional regulator 0.0017 0.0464 0.0541
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0052 0.2786 0.2434
Brugia malayi Muscleblind-like protein 0.014 0.8578 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0946 0.2001
Loa Loa (eye worm) hypothetical protein 0.0026 0.1084 0.1264
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0026 0.1084 0.1593
Trypanosoma brucei SIR2-like protein 4, putative 0.0017 0.0464 0.026
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0344 0.0344
Brugia malayi jmjC domain containing protein 0.0015 0.0344 0.04
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4993 1
Loa Loa (eye worm) hypothetical protein 0.014 0.8578 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.0344 0.0344
Brugia malayi NAD-dependent deacetylase SIRT1 0.0017 0.0464 0.0541
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0946 0.0505
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0344 0.0344
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.0344 0.0344
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.4993 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0549 0.0842
Trypanosoma cruzi hypothetical protein 0.0026 0.1084 0.1593
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0017 0.0464 0.0464
Toxoplasma gondii histone deacetylase SIR2 0.0052 0.2786 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0052 0.2786 0.2786
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Echinococcus multilocularis expressed conserved protein 0.0136 0.8294 0.8294
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0026 0.1084 0.1593
Leishmania major silent information regulator 2, putative 0.0017 0.0464 0.026
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0017 0.0464 0.0464
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0946 0.0505
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0035 0.1652 0.1246
Loa Loa (eye worm) hypothetical protein 0.0024 0.0946 0.1102
Plasmodium vivax sentrin-specific protease 2, putative 0.0026 0.1084 0.3032
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0946 0.2073
Plasmodium vivax sentrin-specific protease 1, putative 0.0026 0.1084 0.3032
Onchocerca volvulus Serine\/threonine kinase homolog 0.0086 0.4993 0.7211
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.065
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0017 0.0495 0.0327
Loa Loa (eye worm) hypothetical protein 0.0015 0.0344 0.04
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0017 0.0464 0.0464
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0946 0.2073
Trypanosoma brucei polo-like protein kinase 0.0086 0.4993 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0549 0.064
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0946 0.1295
Echinococcus multilocularis muscleblind protein 0.014 0.8578 0.8578
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.1652 0.2815
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0017 0.0464 0.026
Treponema pallidum exodeoxyribonuclease (exoA) 0.0017 0.0495 0.5
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0946 0.1102
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4993 1
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0344 0.0344
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0035 0.1652 0.5119
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.2786 0.5126
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0086 0.4993 1
Brugia malayi hypothetical protein 0.0115 0.6923 0.8071
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0017 0.0495 0.0327
Loa Loa (eye worm) hypothetical protein 0.0018 0.0549 0.064
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0344 0.04
Loa Loa (eye worm) hypothetical protein 0.0026 0.1084 0.1264
Echinococcus multilocularis lysine specific demethylase 5A 0.0055 0.3 0.3
Schistosoma mansoni jumonji domain containing protein 0.0055 0.3 0.3
Brugia malayi jmjC domain containing protein 0.0055 0.3 0.3497
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Echinococcus multilocularis sentrin specific protease 1 0.0026 0.1084 0.1084
Onchocerca volvulus Huntingtin homolog 0.0115 0.6923 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0035 0.1652 0.536
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0041 0.2097 0.2444
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0946 0.2073
Loa Loa (eye worm) transcriptional regulator 0.0017 0.0464 0.0541
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0549 0.0278
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.065
Loa Loa (eye worm) hypothetical protein 0.014 0.8578 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.2097 0.2097
Echinococcus multilocularis muscleblind protein 1 0.014 0.8578 0.8578
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.065
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0946 0.2001
Brugia malayi jmjC domain containing protein 0.0015 0.0344 0.04
Giardia lamblia Transcriptional regulator, Sir2 family 0.0052 0.2786 0.5126
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0946 0.0505
Echinococcus multilocularis sentrin specific protease 7 0.0162 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0031 0.1414 0.4038
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.1652 0.2815
Brugia malayi transcriptional regulator, Sir2 family protein 0.0017 0.0464 0.0541
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0041 0.2097 0.2444
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0162 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0055 0.3 0.3
Echinococcus granulosus lysine specific demethylase 5A 0.0055 0.3 0.3
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) 0.0035 0.1699 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0017 0.0464 0.0464
Echinococcus granulosus sentrin specific protease 1 0.0026 0.1084 0.1084
Schistosoma mansoni inositol monophosphatase 0.0035 0.1652 0.1652
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0017 0.0495 0.0495
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0946 0.2073
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0549 0.0842
Loa Loa (eye worm) Ulp1 protease 0.0026 0.1084 0.1264
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0549 0.0365
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0946 0.2073
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.1264
Leishmania major sir2-family protein-like protein 0.0017 0.0464 0.026
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.1652 0.2624
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0495 0.0069
Trypanosoma cruzi polo-like protein kinase, putative 0.0086 0.4993 1
Trichomonas vaginalis ap endonuclease, putative 0.0017 0.0495 0.0069
Loa Loa (eye worm) hypothetical protein 0.0018 0.0549 0.064
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0026 0.1084 0.1084
Brugia malayi Inositol-1 0.0035 0.1652 0.1926
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4993 1
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0026 0.1084 1
Onchocerca volvulus 0.0024 0.0946 0.1366
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0041 0.2097 0.2097
Trichomonas vaginalis Sentrin-specific protease, putative 0.0026 0.1084 0.1368
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0031 0.1414 0.622
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0086 0.4993 0.582
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0017 0.0495 0.0069
Loa Loa (eye worm) hypothetical protein 0.0015 0.0344 0.04
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0026 0.1084 0.3032
Plasmodium falciparum sentrin-specific protease 1 0.0026 0.1084 0.3032
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0052 0.2786 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0052 0.2786 1
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0026 0.1084 0.1593
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4993 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0055 0.3 0.3497
Echinococcus multilocularis inositol monophosphatase 1 0.0035 0.1652 0.1652
Loa Loa (eye worm) sirtuin 4 0.0017 0.0464 0.0541
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0344 0.0344
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0017 0.0464 0.0464
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.2157 0.3738
Brugia malayi jmjC domain containing protein 0.0015 0.0344 0.04
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4993 1
Onchocerca volvulus Huntingtin homolog 0.0115 0.6923 1
Mycobacterium ulcerans NAD-dependent deacetylase 0.0052 0.2786 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0495 0.0622
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Echinococcus multilocularis chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.1264
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0026 0.1084 0.1084
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0017 0.0464 0.026
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.1652 0.2624
Mycobacterium ulcerans hypothetical protein 0.0024 0.0946 0.2073
Entamoeba histolytica serine/threonine protein kinase, putative 0.0086 0.4993 0.4749
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.065
Toxoplasma gondii exonuclease III APE 0.0017 0.0495 0.0622
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0052 0.2786 0.5253
Brugia malayi exodeoxyribonuclease III family protein 0.0017 0.0495 0.0578
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0344 0.0344
Loa Loa (eye worm) hypothetical protein 0.0115 0.6923 0.8071
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.1084 0.1368
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0344 0.0344
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0344 0.0344
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0017 0.0495 0.0327
Loa Loa (eye worm) hypothetical protein 0.0017 0.0464 0.0541
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0946 0.1295
Loa Loa (eye worm) hypothetical protein 0.0018 0.0549 0.064
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0017 0.0495 0.0622
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0026 0.1084 0.3032
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0946 0.1295
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.1264
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.1264
Loa Loa (eye worm) hypothetical protein 0.0015 0.0344 0.04
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0026 0.1084 0.065
Echinococcus granulosus sentrin specific protease 8 0.0026 0.1084 0.1084
Echinococcus granulosus muscleblind protein 0.014 0.8578 0.8578
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0017 0.0495 0.0578
Loa Loa (eye worm) hypothetical protein 0.0024 0.0946 0.1102
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0052 0.2786 0.5253
Loa Loa (eye worm) hypothetical protein 0.0115 0.6923 0.8071
Schistosoma mansoni ap endonuclease 0.0017 0.0495 0.0495
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0026 0.1084 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0035 0.1652 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0017 0.0495 0.0033
Schistosoma mansoni inositol monophosphatase 0.0035 0.1652 0.1652
Echinococcus granulosus expressed conserved protein 0.0136 0.8294 0.8294
Echinococcus granulosus chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Loa Loa (eye worm) Ulp1 protease 0.0026 0.1084 0.1264
Echinococcus granulosus phd:f box containing protein 0.0015 0.0344 0.0344
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0017 0.0464 0.0495
Brugia malayi serine/threonine-protein kinase plk-2 0.0086 0.4993 0.582
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0344 0.04
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.3 0.3
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0026 0.1084 0.1084
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0464 0.0495
Echinococcus granulosus inositol monophosphatase 1 0.0035 0.1652 0.1652
Schistosoma mansoni jumonji/arid domain-containing protein 0.0055 0.3 0.3
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.2097 0.2097
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0946 0.2073
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0026 0.1084 0.3032
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0017 0.0495 0.0134
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0344 0.0344
Loa Loa (eye worm) transcriptional regulator 0.0017 0.0464 0.0541
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0946 0.1102
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0055 0.3 0.3
Trypanosoma brucei SUMO1/Ulp2, putative 0.0026 0.1084 0.1593
Onchocerca volvulus 0.0026 0.1084 0.1566
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0344 0.0344
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0017 0.0464 0.0464
Brugia malayi transcriptional regulator, Sir2 family protein 0.0017 0.0464 0.0541
Trichomonas vaginalis inositol monophosphatase, putative 0.0035 0.1652 0.2624
Giardia lamblia Kinase, PLK 0.0086 0.4993 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0017 0.0464 0.0464
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0052 0.2786 0.5253
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0017 0.0495 0.0327
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0026 0.1084 0.1368
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0041 0.2097 0.2097
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0344 0.0344
Schistosoma mansoni kinase 0.0043 0.2231 0.2231
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0017 0.0464 0.026
Loa Loa (eye worm) hypothetical protein 0.0018 0.0549 0.064
Loa Loa (eye worm) hypothetical protein 0.0024 0.0946 0.1102
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0344 0.04
Toxoplasma gondii histone deacetylase SIR2-like 0.0017 0.0464 0.0495
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0052 0.2786 0.5126
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0017 0.0464 0.0464
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.4993 0.4993
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0946 0.1102
Trichomonas vaginalis CAMK family protein kinase 0.0086 0.4993 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0041 0.2097 0.2097
Loa Loa (eye worm) hypothetical protein 0.0026 0.1084 0.1264
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0344 0.0344
Echinococcus multilocularis sentrin specific protease 8 0.0026 0.1084 0.1084
Brugia malayi jmjC domain containing protein 0.0055 0.3 0.3497
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0017 0.0495 0.0045

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) nM Effective concentration for maximum agonist response towards mouse melanocortin 4 receptor (MC4R); No activity up to 10-5 M ChEMBL. 14998337
EC50 (functional) nM Maximum agonist response for frog skin melanocortin 1 receptor (MC1R); No activity up to 10-5M ChEMBL. 14998337
EC50 (functional) = 46 nM Maximum agonist response for mouse melanocortin 5 receptor (MC5R) ChEMBL. 14998337
EC50 (functional) = 59 nM Maximal agonist response at rat melanocortin 3 receptor (MC3R) ChEMBL. 14998337
EC50 (functional) = 490 nM Maximal agonist response of mouse melanocortin 1 receptor (MC1R) ChEMBL. 14998337
IC50 (functional) nM Inhibition of 1 nM alpha melanocortin stimulating hormone (MSH) from frog skin; antagonist ChEMBL. 14998337

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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