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

Ranking Plot

Putative Targets List

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

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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