Detailed information for compound 322992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 776.347 | Formula: C38H46ClN9O5S
  • H donors: 8 H acceptors: 5 LogP: 3.13 Rotable bonds: 24
    Rule of 5 violations (Lipinski): 3
  • SMILES: CSCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)CCCN=C(N)N)Cc1ccccc1)Cc1ccc(cc1)Cl
  • InChi: 1S/C38H46ClN9O5S/c1-54-22-33(49)45-31(19-24-13-15-26(39)16-14-24)36(52)48-32(18-23-8-3-2-4-9-23)37(53)46-29(12-7-17-43-38(41)42)35(51)47-30(34(40)50)20-25-21-44-28-11-6-5-10-27(25)28/h2-6,8-11,13-16,21,29-32,44H,7,12,17-20,22H2,1H3,(H2,40,50)(H,45,49)(H,46,53)(H,47,51)(H,48,52)(H4,41,42,43)/t29-,30-,31-,32-/m0/s1
  • InChiKey: PUQCDUHMRXQJAQ-YDPTYEFTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melanocortin 4 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 3 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
Entamoeba histolytica tubulin family protein 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
Echinococcus multilocularis 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
Echinococcus multilocularis Tubulin beta 2C chain 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
Leishmania braziliensis 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
Echinococcus granulosus Tubulin beta 2C 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 major 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
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
Loa Loa (eye worm) BEN-1 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
Schistosoma japonicum Tubulin beta chain, putative 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
Echinococcus multilocularis tubulin beta 1 chain 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
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
Trypanosoma brucei gambiense 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
Plasmodium vivax tubulin beta chain, putative Get druggable targets OG5_126611 All targets in OG5_126611
Neospora caninum hypothetical protein 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 granulosus 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
Leishmania mexicana 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
Toxoplasma gondii beta-tubulin, putative 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
Echinococcus multilocularis tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Trypanosoma brucei 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
Echinococcus granulosus 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 beta 2C chain 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
Echinococcus multilocularis 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
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus 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
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
Echinococcus granulosus tubulin beta 1 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
Leishmania mexicana beta tubulin Get druggable targets OG5_126611 All targets in OG5_126611
Trichomonas vaginalis 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
Trichomonas vaginalis tubulin gamma 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) tubulin beta-1 chain Get druggable targets OG5_126611 All targets in OG5_126611
Theileria parva tubulin beta chain, putative 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 japonicum 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
Schistosoma japonicum Tubulin beta-7 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
Trichomonas vaginalis tubulin alpha chain, putative 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 braziliensis 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
Leishmania major beta tubulin 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
Schistosoma mansoni tubulin subunit beta 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
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
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
Schistosoma japonicum 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
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
Leishmania infantum 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 brucei 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
Trichomonas vaginalis tubulin epsilon chain, 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
Leishmania major 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
Entamoeba histolytica tubulin family protein 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
Schistosoma japonicum Tubulin beta-1 chain, putative 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
Loa Loa (eye worm) tubulin beta 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
Neospora caninum hypothetical protein 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 granulosus tubulin beta 4A class IVa 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
Leishmania major 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
Leishmania major 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
Echinococcus granulosus Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia 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
Leishmania mexicana beta tubulin 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
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
Brugia malayi Smad1 0.0028 0.0071 0.0007
Brugia malayi hypothetical protein 0.0036 0.0288 0.0224
Entamoeba histolytica hypothetical protein 0.0039 0.0375 1
Echinococcus multilocularis tar DNA binding protein 0.014 0.3032 0.4903
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0054 0.0758 0.1226
Brugia malayi MH2 domain containing protein 0.0028 0.0071 0.0007
Brugia malayi TAR-binding protein 0.014 0.3032 0.2986
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0054 0.0758 0.1226
Brugia malayi Probable ClpP-like protease 0.026 0.6183 0.6158
Loa Loa (eye worm) hypothetical protein 0.0116 0.2397 0.2347
Brugia malayi glutaminase DH11.1 0.0304 0.7344 0.7327
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0028 0.0071 0.0116
Loa Loa (eye worm) MH2 domain-containing protein 0.0028 0.0071 0.0007
Schistosoma mansoni glutaminase 0.0304 0.7344 1
Schistosoma mansoni tubulin subunit beta 0.0027 0.0065 0.0088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.017 0.3809 0.3769
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0089 0.1701 0.2674
Schistosoma mansoni tubulin subunit beta 0.0027 0.0065 0.0088
Echinococcus granulosus TGF beta signal transducer SmadC 0.0028 0.0071 0.0116
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0375 0.0607
Echinococcus granulosus mothers against decapentaplegic 5 0.0028 0.0071 0.0116
Echinococcus granulosus beta tubulin 0.0027 0.0065 0.0105
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0054 0.0758 0.1226
Brugia malayi MH1 domain containing protein 0.0028 0.0071 0.0007
Schistosoma mansoni tar DNA-binding protein 0.014 0.3032 0.4128
Giardia lamblia Beta tubulin 0.0027 0.0065 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.0375 0.0511
Echinococcus multilocularis smad 0.0028 0.0071 0.0116
Loa Loa (eye worm) RNA binding protein 0.014 0.3032 0.2986
Echinococcus granulosus Smad4 0.0028 0.0071 0.0116
Brugia malayi MH1 domain containing protein 0.0028 0.0071 0.0007
Loa Loa (eye worm) hypothetical protein 0.0055 0.0805 0.0745
Brugia malayi hypothetical protein 0.0055 0.0805 0.0745
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0805 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.026 0.6183 0.5
Loa Loa (eye worm) glutaminase 0.0304 0.7344 0.7327
Loa Loa (eye worm) transcription factor SMAD2 0.0405 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0805 0.1209
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0089 0.1701 0.2674
Brugia malayi MH2 domain containing protein 0.0028 0.0071 0.0007
Schistosoma mansoni hypothetical protein 0.0116 0.2397 0.3263
Loa Loa (eye worm) hypothetical protein 0.0054 0.0758 0.0697
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.026 0.6183 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0028 0.0071 0.0007
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.026 0.6183 0.5
Schistosoma mansoni smad1 5 8 and 0.0028 0.0071 0.0097
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0375 0.0511
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.017 0.3809 0.3769
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.017 0.3827 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0805 0.1209
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0.0065 0.0105
Brugia malayi latrophilin 2 splice variant baaae 0.0116 0.2397 0.2347
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.026 0.6183 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0375 0.0607
Schistosoma mansoni tubulin subunit beta 0.0027 0.0065 0.0088
Schistosoma mansoni smad1 5 8 and 0.0028 0.0071 0.0097
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.026 0.6183 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0.0065 0.0105
Schistosoma mansoni tar DNA-binding protein 0.014 0.3032 0.4128
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0805 0.1209
Schistosoma mansoni hypothetical protein 0.0054 0.0758 0.1032
Schistosoma mansoni hypothetical protein 0.0054 0.0758 0.1032
Schistosoma mansoni peptidase Clp (S14 family) 0.026 0.6183 0.8418
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0054 0.0758 0.0697
Schistosoma mansoni smad1 5 8 and 0.0028 0.0071 0.0097
Echinococcus granulosus smad 0.0028 0.0071 0.0116
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.017 0.3827 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0.0065 0.0105
Schistosoma mansoni tar DNA-binding protein 0.014 0.3032 0.4128
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0.0065 0.0105
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0027 0.0065 0.0105
Echinococcus multilocularis beta tubulin 0.0027 0.0065 0.0105
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0.0065 0.0105
Echinococcus granulosus GPCR family 2 0.0054 0.0758 0.1226
Loa Loa (eye worm) latrophilin receptor protein 2 0.0054 0.0758 0.0697
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0054 0.0758 0.1226
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0.0065 0.0105
Echinococcus multilocularis beta tubulin 0.0027 0.0065 0.0105
Echinococcus multilocularis peptidase Clp (S14 family) 0.017 0.3827 0.619
Echinococcus multilocularis tubulin subunit beta 0.0027 0.0065 0.0105
Echinococcus granulosus tar DNA binding protein 0.014 0.3032 0.4903
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.026 0.6183 1
Toxoplasma gondii hypothetical protein 0.0089 0.1701 0.2674
Echinococcus multilocularis tubulin beta 1 chain 0.0027 0.0065 0.0105
Echinococcus granulosus tubulin subunit beta 0.0027 0.0065 0.0105
Echinococcus granulosus tubulin beta 4A class IVa 0.0027 0.0065 0.0105
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0.0065 0.0105
Loa Loa (eye worm) MH2 domain-containing protein 0.0405 1 1
Schistosoma mansoni tubulin subunit beta 0.0027 0.0065 0.0088
Echinococcus granulosus tubulin beta 1 chain 0.0027 0.0065 0.0105
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.026 0.6183 1
Schistosoma mansoni tar DNA-binding protein 0.014 0.3032 0.4128
Loa Loa (eye worm) hypothetical protein 0.017 0.3809 0.3769
Echinococcus granulosus peptidase Clp S14 family 0.017 0.3827 0.619
Schistosoma mansoni smad 0.0028 0.0071 0.0097
Entamoeba histolytica hypothetical protein 0.0039 0.0375 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.017 0.3827 0.4744
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.026 0.6183 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.026 0.6183 1
Brugia malayi Latrophilin receptor protein 2 0.0054 0.0758 0.0697
Mycobacterium ulcerans glutaminase 0.0304 0.7344 1
Loa Loa (eye worm) Smad1 0.0028 0.0071 0.0007
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0805 1
Leishmania major hypothetical protein, conserved 0.0055 0.0805 1
Echinococcus multilocularis Smad4 0.0028 0.0071 0.0116
Schistosoma mansoni Smad4 0.0028 0.0071 0.0097
Echinococcus multilocularis Tubulin beta 2C chain 0.0027 0.0065 0.0105
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.3032 0.2986
Schistosoma mansoni tar DNA-binding protein 0.014 0.3032 0.4128
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.026 0.6183 1
Trichomonas vaginalis glutaminase, putative 0.0304 0.7344 1
Loa Loa (eye worm) TAR-binding protein 0.014 0.3032 0.2986
Echinococcus granulosus beta tubulin 0.0027 0.0065 0.0105
Brugia malayi RNA recognition motif domain containing protein 0.014 0.3032 0.2986
Loa Loa (eye worm) hypothetical protein 0.026 0.6183 0.6158
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0.0065 0.0105
Entamoeba histolytica hypothetical protein 0.0039 0.0375 1
Schistosoma mansoni tubulin subunit beta 0.0027 0.0065 0.0088
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0805 0.1209
Brugia malayi hypothetical protein 0.0039 0.0375 0.0312
Echinococcus multilocularis GPCR, family 2 0.0054 0.0758 0.1226
Entamoeba histolytica hypothetical protein 0.0039 0.0375 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.017 0.3809 0.3769
Giardia lamblia Beta tubulin 0.0027 0.0065 0.5
Giardia lamblia Beta tubulin 0.0027 0.0065 0.5
Schistosoma mansoni tubulin subunit beta 0.0027 0.0065 0.0088
Brugia malayi RNA binding protein 0.014 0.3032 0.2986
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.026 0.6183 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0028 0.0071 0.0097
Echinococcus multilocularis mothers against decapentaplegic 5 0.0028 0.0071 0.0116
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0805 1
Schistosoma mansoni hypothetical protein 0.0054 0.0758 0.1032
Schistosoma mansoni hypothetical protein 0.0054 0.0758 0.1032
Loa Loa (eye worm) glutaminase 2 0.0304 0.7344 0.7327
Echinococcus granulosus Tubulin beta 2C chain 0.0027 0.0065 0.0105

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 39.3 nM Agonistic activity against against human Melanocortin 4 receptor ChEMBL. 15341935
EC50 (functional) = 39.3 nM Agonistic activity against against human Melanocortin 4 receptor ChEMBL. 15341935
EC50 (functional) = 378 nM Agonistic activity against against human Melanocortin 1 receptor ChEMBL. 15341935
EC50 (functional) = 378 nM Agonistic activity against against human Melanocortin 1 receptor ChEMBL. 15341935
EC50 (functional) = 1016 nM Agonistic activity against against human Melanocortin 3 receptor ChEMBL. 15341935
EC50 (functional) = 1016 nM Agonistic activity against against human Melanocortin 3 receptor ChEMBL. 15341935
Ratio (binding) = 10 Ratio of EC50 of Melanocortin 4 receptor to that of Melanocortin 1 receptor ChEMBL. 15341935
Ratio (binding) = 26 Ratio of EC50 of Melanocortin 4 receptor to that of Melanocortin 3 receptor ChEMBL. 15341935

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.