Detailed information for compound 377696

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1082.3 | Formula: C52H67N13O9S2
  • H donors: 13 H acceptors: 10 LogP: 0.29 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCC1NC(=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-IWYAJFLZSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0 nM Maximum agonist response for frog skin melanocortin 1 receptor (MC1R); No activity up to 10-5M ChEMBL. 14998337
EC50 (functional) 0 nM Effective concentration for maximum agonist response towards mouse melanocortin 4 receptor (MC4R); No activity up to 10-5 M 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) 0 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.
 
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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