Detailed information for compound 502526

Basic information

Technical information
  • TDR Targets ID: 502526
  • Name: (4R,7S,10S,13S)-7-[3-(diaminomethylideneamino )propyl]-10-(1H-indol-3-ylmethyl)-4-(naphthal en-2-ylmethyl)-2,5,8,11,19-pentaoxo-3,6,9,12, 18,24-hexazabicyclo[18.3.1]tetracosa-1(23),20 (24),21-triene-13-carboxamide
  • MW: 815.919 | Formula: C43H49N11O6
  • H donors: 9 H acceptors: 7 LogP: 2.87 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 3
  • SMILES: NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3c(c2)cccc3)NC(=O)c2cccc(n2)C(=O)NCCCC[C@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)C(=O)N
  • InChi: 1S/C43H49N11O6/c44-37(55)31-13-5-6-19-47-38(56)32-14-7-15-33(50-32)39(57)53-35(22-25-17-18-26-9-1-2-10-27(26)21-25)41(59)52-34(16-8-20-48-43(45)46)40(58)54-36(42(60)51-31)23-28-24-49-30-12-4-3-11-29(28)30/h1-4,7,9-12,14-15,17-18,21,24,31,34-36,49H,5-6,8,13,16,19-20,22-23H2,(H2,44,55)(H,47,56)(H,51,60)(H,52,59)(H,53,57)(H,54,58)(H4,45,46,48)/t31-,34-,35+,36-/m0/s1
  • InChiKey: MWUCNYWUPGVTSX-IIHRZFSGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4R,7S,10S,13S)-7-(3-guanidinopropyl)-10-(1H-indol-3-ylmethyl)-4-(2-naphthylmethyl)-2,5,8,11,19-pentaoxo-3,6,9,12,18,24-hexazabicyclo[18.3.1]tetracosa-1(23),20(24),21-triene-13-carboxamide
  • (4R,7S,10S,13S)-7-(3-guanidinopropyl)-10-(1H-indol-3-ylmethyl)-4-(2-naphthalenylmethyl)-2,5,8,11,19-pentaoxo-3,6,9,12,18,24-hexazabicyclo[18.3.1]tetracosa-1(23),20(24),21-triene-13-carboxamide
  • (4R,7S,10S,13S)-7-[3-[bis(azanyl)methylideneamino]propyl]-10-(1H-indol-3-ylmethyl)-4-(naphthalen-2-ylmethyl)-2,5,8,11,19-pentaoxo-3,6,9,12,18,24-hexazabicyclo[18.3.1]tetracosa-1(23),20(24),21-triene-13-carboxamide
  • (4R,7S,10S,13S)-7-(3-guanidinopropyl)-10-(1H-indol-3-ylmethyl)-2,5,8,11,19-pentaketo-4-(2-naphthylmethyl)-3,6,9,12,18,24-hexazabicyclo[18.3.1]tetracosa-1(23),20(24),21-triene-13-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melanocortin 3 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 5 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 4 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium falciparum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin, beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-1 tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 4A class IVa Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin alpha chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma congolense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium berghei tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium hominis beta-catenin-like repeat protein Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi Tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei gambiense beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Brugia malayi beta-tubulin, identical Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin gamma chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-4 chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Cryptosporidium parvum tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium yoelii tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Plasmodium vivax tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-1 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta-tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis tubulin epsilon chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania braziliensis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Toxoplasma gondii beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-2A chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-4 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum ko:K07375 tubulin beta, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Schistosoma japonicum Tubulin beta-7 chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) beta-tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Babesia bovis tubulin beta chain Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma cruzi beta tubulin, putative Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania mexicana Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania major beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis tubulin beta 1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) BEN-1 protein Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Loa Loa (eye worm) tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
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
Echinococcus granulosus tubulin subunit beta 0.0037 0.0041 0.0072
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.026 0.283
Onchocerca volvulus Putative sulfate transporter 0.0202 0.1447 1
Schistosoma mansoni tubulin subunit beta 0.0037 0.0041 0.003
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0134 0.0868 0.5174
Plasmodium falciparum tubulin beta chain 0.0037 0.0041 0.1816
Brugia malayi TAR-binding protein 0.0063 0.026 0.283
Plasmodium vivax tubulin beta chain, putative 0.0037 0.0041 0.1816
Schistosoma mansoni rab6-interacting 0.0058 0.0224 0.0494
Entamoeba histolytica tubulin family protein 0.0037 0.0041 0.003
Loa Loa (eye worm) tubulin beta chain 0.0037 0.0041 0.0249
Schistosoma mansoni rab6-interacting 0.0058 0.0224 0.0494
Plasmodium vivax multidomain scavenger receptor, putative 0.0058 0.0224 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0037 0.0041 0.0072
Echinococcus multilocularis Tubulin beta 2C chain 0.0037 0.0041 0.0072
Echinococcus multilocularis sterol regulatory element binding protein 0.0055 0.0196 0.103
Loa Loa (eye worm) hypothetical protein 0.0081 0.0414 0.4651
Echinococcus granulosus sterol regulatory element binding protein 0.0055 0.0196 0.103
Echinococcus granulosus Tubulin beta 2C chain 0.0037 0.0041 0.0072
Brugia malayi Doublecortin family protein 0.0058 0.0224 0.2413
Echinococcus multilocularis Tubulin beta 2C chain 0.0037 0.0041 0.0072
Brugia malayi hypothetical protein 0.0065 0.0282 0.3088
Echinococcus granulosus Polycystic kidney disease protein 0.0058 0.0224 0.1205
Echinococcus multilocularis beta tubulin 0.0037 0.0041 0.0072
Loa Loa (eye worm) tubulin beta-4 chain 0.0037 0.0041 0.0249
Toxoplasma gondii beta-1 tubulin, putative 0.0037 0.0041 1
Brugia malayi bZIP transcription factor family protein 0.0086 0.0463 0.5222
Schistosoma mansoni tubulin subunit beta 0.0037 0.0041 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0196 0.0156
Schistosoma mansoni polycystin 1-related 0.0058 0.0224 0.0494
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.026 0.283
Brugia malayi RNA binding protein 0.0063 0.026 0.283
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0111 0.0208
Entamoeba histolytica carbonic anhydrase, putative 0.0499 0.3983 1
Schistosoma mansoni hypothetical protein 0.0195 0.139 0.3441
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0111 0.0508
Loa Loa (eye worm) RNA binding protein 0.0063 0.026 0.283
Echinococcus granulosus beta tubulin 0.0037 0.0041 0.0072
Loa Loa (eye worm) BEN-1 protein 0.0037 0.0041 0.0249
Schistosoma mansoni lipoxygenase 0.0226 0.165 0.41
Onchocerca volvulus 0.0065 0.0282 0.1835
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0111 0.1081
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0055 0.0196 0.208
Echinococcus granulosus Tubulin beta 2C chain 0.0037 0.0041 0.0072
Loa Loa (eye worm) BEN-1 protein 0.0037 0.0041 0.0249
Echinococcus multilocularis Tubulin beta 2C chain 0.0037 0.0041 0.0072
Echinococcus multilocularis tubulin subunit beta 0.0037 0.0041 0.0072
Schistosoma mansoni hypothetical protein 0.0071 0.033 0.0761
Brugia malayi hypothetical protein 0.0036 0.0029 0.0111
Brugia malayi hypothetical protein 0.0058 0.0224 0.2413
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0134 0.0868 1
Echinococcus granulosus Tubulin beta 2C chain 0.0037 0.0041 0.0072
Brugia malayi CHE-14 protein 0.0055 0.0196 0.208
Schistosoma mansoni tar DNA-binding protein 0.0063 0.026 0.0583
Trypanosoma brucei beta tubulin 0.0037 0.0041 0.0469
Loa Loa (eye worm) tubulin beta-1 chain 0.0037 0.0041 0.0249
Schistosoma mansoni tubulin subunit beta 0.0037 0.0041 0.003
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0226 0.165 1
Echinococcus granulosus beta tubulin 0.0037 0.0041 0.0072
Echinococcus granulosus lipoxygenase domain containing protein 0.0058 0.0224 0.1205
Schistosoma mansoni tar DNA-binding protein 0.0063 0.026 0.0583
Loa Loa (eye worm) beta-tubulin 0.0037 0.0041 0.0249
Echinococcus multilocularis beta tubulin 0.0037 0.0041 0.0072
Toxoplasma gondii beta-tubulin, putative 0.0037 0.0041 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0196 0.208
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0226 0.165 1
Echinococcus granulosus Protein patched homolog 1 0.0055 0.0196 0.103
Brugia malayi hypothetical protein 0.0058 0.0224 0.2413
Schistosoma mansoni hypothetical protein 0.0058 0.0224 0.0494
Echinococcus multilocularis jun protein 0.0086 0.0463 0.2675
Echinococcus granulosus tubulin beta 4A class IVa 0.0037 0.0041 0.0072
Entamoeba histolytica tubulin family protein 0.0037 0.0041 0.003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0111 0.0208
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0111 0.0508
Onchocerca volvulus 0.0202 0.1447 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0134 0.0868 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0111 0.0508
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0477 0.379 0.3344
Echinococcus multilocularis tubulin beta 1 chain 0.0037 0.0041 0.0072
Schistosoma mansoni tubulin subunit beta 0.0037 0.0041 0.003
Echinococcus multilocularis geminin 0.0195 0.139 0.8394
Schistosoma mansoni carbonic anhydrase 0.0499 0.3983 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0058 0.0224 0.1205
Mycobacterium ulcerans carbonic anhydrase 0.0499 0.3983 0.3983
Trichomonas vaginalis conserved hypothetical protein 0.1205 1 1
Trypanosoma brucei beta tubulin 0.0037 0.0041 0.0469
Mycobacterium ulcerans hypothetical protein 0.0107 0.0641 0.0641
Echinococcus multilocularis protein patched 0.0055 0.0196 0.103
Echinococcus multilocularis Polycystic kidney disease protein 0.0058 0.0224 0.1205
Schistosoma mansoni tar DNA-binding protein 0.0063 0.026 0.0583
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0961 0.7923 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0134 0.0868 0.0868
Echinococcus multilocularis protein dispatched 1 0.0055 0.0196 0.103
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0086 0.0463 0.2675
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0055 0.0196 0.0422
Leishmania major carbonic anhydrase family protein, putative 0.0499 0.3983 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.0262 0.0222
Echinococcus granulosus jun protein 0.0086 0.0463 0.2675
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0111 0.0508
Loa Loa (eye worm) hypothetical protein 0.0058 0.0224 0.2413
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0256 0.1906 0.031
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0134 0.0868 1
Echinococcus granulosus Tubulin beta 2C chain 0.0037 0.0041 0.0072
Schistosoma mansoni hypothetical protein 0.0195 0.139 0.3441
Echinococcus multilocularis Niemann Pick C1 protein 0.0055 0.0196 0.103
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0134 0.0868 0.2098
Plasmodium falciparum LCCL domain-containing protein 0.0058 0.0224 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.026 0.0583
Loa Loa (eye worm) tubulin beta-2A chain 0.0037 0.0041 0.0249
Trypanosoma cruzi beta tubulin, putative 0.0037 0.0041 0.0469
Toxoplasma gondii beta tubulin 0.0037 0.0041 1
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0134 0.0868 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.026 0.1423
Echinococcus granulosus Niemann Pick C1 protein 0.0055 0.0196 0.103
Loa Loa (eye worm) hypothetical protein 0.0058 0.0224 0.2413
Brugia malayi beta-tubulin, identical 0.0037 0.0041 0.0249
Loa Loa (eye worm) TAR-binding protein 0.0063 0.026 0.283
Echinococcus multilocularis lipoxygenase domain containing protein 0.0058 0.0224 0.1205
Echinococcus granulosus lipoxygenase domain containing protein 0.0058 0.0224 0.1205
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0499 0.3983 1
Echinococcus granulosus Tubulin beta 2C chain 0.0037 0.0041 0.0072
Schistosoma mansoni tubulin subunit beta 0.0037 0.0041 0.003
Echinococcus multilocularis Tubulin beta 2C chain 0.0037 0.0041 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.1205 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.026 0.0583
Loa Loa (eye worm) hypothetical protein 0.0134 0.0868 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0134 0.0868 0.2121
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.0262 0.0222
Echinococcus granulosus tubulin beta 1 chain 0.0037 0.0041 0.0072
Schistosoma mansoni jun-related protein 0.0071 0.033 0.0761
Loa Loa (eye worm) doublecortin family protein 0.0058 0.0224 0.2413
Onchocerca volvulus 0.0058 0.0224 0.1434
Echinococcus granulosus tar DNA binding protein 0.0063 0.026 0.1423
Chlamydia trachomatis sulfate transporter 0.0032 0 0.5
Echinococcus granulosus geminin 0.0195 0.139 0.8394
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0063 0.0262 0.0222
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0134 0.0868 0.5174
Echinococcus multilocularis RUN 0.0058 0.0224 0.1205
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0063 0.0262 1
Echinococcus granulosus RUN 0.0058 0.0224 0.1205
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0111 0.1081
Trypanosoma brucei beta tubulin 0.0037 0.0041 0.0469
Schistosoma mansoni patched 1 0.0055 0.0196 0.0422
Trypanosoma brucei beta tubulin 0.0037 0.0041 0.0469
Schistosoma mansoni lipoxygenase 0.012 0.0753 0.1831
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0037 0.0041 0.0072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0111 0.0208
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0086 0.0463 0.2675
Brugia malayi Tubulin beta-1 chain 0.0037 0.0041 0.0249
Schistosoma mansoni loxhd1 0.0058 0.0224 0.0494
Onchocerca volvulus 0.0058 0.0224 0.1434
Schistosoma mansoni tubulin subunit beta 0.0037 0.0041 0.003

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC1 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC3 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM ChEMBL. 18088090
Activity (functional) = 0 % Agonist activity at human MC5 receptor expressed in HEK293 cells assessed as intracellular cAMP accumulation at 10 uM relative to MT2 ChEMBL. 18088090
IC50 (binding) > 1000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells ChEMBL. 18088090
IC50 (binding) > 1000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells ChEMBL. 18088090
IC50 (binding) > 1000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells ChEMBL. 18088090
IC50 (binding) > 1000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC4 receptor expressed in HEK293 cells ChEMBL. 18088090
IC50 (binding) > 10000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells ChEMBL. 18088090
IC50 (binding) > 10000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC5 receptor expressed in HEK293 cells ChEMBL. 18088090
IC50 (binding) > 10000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC1 receptor expressed in HEK293 cells ChEMBL. 18088090
IC50 (binding) > 10000 nM Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC5 receptor expressed in HEK293 cells ChEMBL. 18088090

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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