Detailed information for compound 140615

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.532 | Formula: C21H32N8O
  • H donors: 6 H acceptors: 1 LogP: 0.28 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: NC(=N)NCCCNC(=O)[C@@H](NCc1ccc2c(c1)cccc2)CCCN=C(N)N
  • InChi: 1S/C21H32N8O/c22-20(23)27-10-3-7-18(19(30)26-11-4-12-28-21(24)25)29-14-15-8-9-16-5-1-2-6-17(16)13-15/h1-2,5-6,8-9,13,18,29H,3-4,7,10-12,14H2,(H,26,30)(H4,22,23,27)(H4,24,25,28)/t18-/m0/s1
  • InChiKey: NBHMYLMOACSAPG-SFHVURJKSA-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 1 receptor (alpha melanocyte stimulating hormone receptor) Starlite/ChEMBL References
Homo sapiens melanocortin 3 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus multilocularis tubulin subunit beta 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
Schistosoma japonicum Tubulin beta chain, putative 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
Cryptosporidium hominis beta-catenin-like repeat protein Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus granulosus 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
Loa Loa (eye worm) tubulin beta-1 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
Schistosoma mansoni tubulin subunit beta Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis 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
Loa Loa (eye worm) BEN-1 protein 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 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
Plasmodium yoelii 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
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
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
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
Loa Loa (eye worm) tubulin beta-2A 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
Neospora caninum hypothetical protein 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
Echinococcus granulosus 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
Trypanosoma brucei 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
Plasmodium vivax 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
Schistosoma japonicum Tubulin beta chain, 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
Leishmania braziliensis 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
Cryptosporidium parvum 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
Echinococcus granulosus tubulin beta 1 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 major 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
Leishmania major 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
Loa Loa (eye worm) tubulin beta-4 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
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
Trypanosoma brucei 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
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 braziliensis beta-tubulin 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
Leishmania major 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
Trichomonas vaginalis tubulin beta chain, putative 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
Echinococcus multilocularis Tubulin beta 2C chain 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-7 chain, 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 alpha chain, putative 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
Leishmania mexicana 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
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
Echinococcus multilocularis Tubulin beta 2C 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
Entamoeba histolytica tubulin family protein Get druggable targets OG5_126611 All targets in OG5_126611
Giardia lamblia Beta tubulin 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
Echinococcus multilocularis 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
Schistosoma japonicum Tubulin beta-4 chain, putative 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
Trypanosoma congolense 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 major 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
Loa Loa (eye worm) beta-tubulin 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
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
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
Leishmania major beta tubulin 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
Leishmania major beta tubulin 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
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
Neospora caninum hypothetical protein 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
Leishmania major 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
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
Loa Loa (eye worm) BEN-1 protein 0.0027 0.0035 0.0081
Schistosoma mansoni o-methyltransferase 0.0123 0.086 0.3042
Loa Loa (eye worm) tubulin beta-4 chain 0.0027 0.0035 0.0081
Schistosoma mansoni alpha glucosidase 0.0036 0.0109 0.0272
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0109 0.0272
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Giardia lamblia Beta tubulin 0.0027 0.0035 0.5
Trypanosoma cruzi beta tubulin, putative 0.0027 0.0035 0.3247
Toxoplasma gondii beta tubulin 0.0027 0.0035 0.2101
Trichomonas vaginalis tubulin alpha chain, putative 0.0027 0.0035 0.3247
Trypanosoma brucei beta tubulin 0.0027 0.0035 0.2101
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0337 0.269 0.2265
Trypanosoma brucei beta tubulin 0.0027 0.0035 0.2101
Trichomonas vaginalis tubulin beta chain, putative 0.0027 0.0035 0.3247
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0016 0.1451
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Brugia malayi O-methyltransferase 0.0123 0.086 0.7193
Schistosoma mansoni importin beta-1 0.0029 0.0046 0.0041
Trypanosoma brucei beta tubulin 0.0027 0.0035 0.2101
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Schistosoma mansoni alpha-glucosidase 0.0139 0.0996 0.3544
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Plasmodium vivax tubulin beta chain, putative 0.0027 0.0035 0.0073
Echinococcus multilocularis snurportin 1 0.0305 0.242 0.88
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0176 1
Plasmodium vivax importin-beta 2, putative 0.0029 0.0046 0.0114
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0109 1
Schistosoma mansoni o-methyltransferase 0.0123 0.086 0.3042
Schistosoma mansoni hypothetical protein 0.0305 0.242 0.88
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0109 0.0388
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0109 0.6188
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.1189 0.4258
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Schistosoma mansoni alpha-glucosidase 0.0139 0.0996 0.3544
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0176 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0016 0.1451
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0109 1
Brugia malayi O-methyltransferase family protein 0.0123 0.086 0.7193
Toxoplasma gondii beta-1 tubulin, putative 0.0027 0.0035 0.2101
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0109 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.1189 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.086 0.351
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0109 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0.0035 0.3247
Trypanosoma brucei glucosidase, putative 0.0036 0.0109 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0109 1
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0046 0.3278
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0337 0.269 0.2002
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0337 0.269 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0109 0.0272
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.242 1
Brugia malayi beta-tubulin, identical 0.0027 0.0035 0.0167
Giardia lamblia Beta tubulin 0.0027 0.0035 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.1189 0.488
Brugia malayi RNA, U transporter 1 0.0081 0.0499 0.4115
Brugia malayi Tubulin beta-1 chain 0.0027 0.0035 0.0167
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0046 0.3278
Brugia malayi MH2 domain containing protein 0.0119 0.0818 0.6839
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0109 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1189 0.4258
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0337 0.269 0.2002
Schistosoma mansoni o-methyltransferase 0.0123 0.086 0.3042
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Loa Loa (eye worm) tubulin beta-2A chain 0.0027 0.0035 0.0081
Giardia lamblia Beta tubulin 0.0027 0.0035 0.5
Brugia malayi O-methyltransferase family protein 0.0123 0.086 0.7193
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0109 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0109 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0027 0.0035 0.3247
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0337 0.269 1
Schistosoma mansoni o-methyltransferase 0.0123 0.086 0.3042
Trichomonas vaginalis tubulin, putative 0.0027 0.0035 0.3247
Loa Loa (eye worm) tubulin beta chain 0.0027 0.0035 0.0081
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0123 0.086 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0176 1
Loa Loa (eye worm) BEN-1 protein 0.0027 0.0035 0.0081
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0109 1
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0337 0.269 0.5
Entamoeba histolytica tubulin family protein 0.0027 0.0035 0.2009
Brugia malayi Importin beta-1 subunit 0.0029 0.0046 0.0261
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0046 0.0041
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.1066 0.8941 1
Loa Loa (eye worm) beta-tubulin 0.0027 0.0035 0.0081
Trichomonas vaginalis tubulin gamma chain, putative 0.0027 0.0035 0.3247
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0109 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0109 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0109 1
Onchocerca volvulus 0.0123 0.086 1
Echinococcus multilocularis geminin 0.0343 0.2745 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0109 0.0795
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0337 0.269 0.2002
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0109 0.6188
Echinococcus granulosus geminin 0.0343 0.2745 1
Leishmania major hypothetical protein, conserved 0.0025 0.0016 0.1451
Echinococcus granulosus snurportin 1 0.0305 0.242 0.88
Entamoeba histolytica tubulin family protein 0.0027 0.0035 0.2009
Loa Loa (eye worm) tubulin beta-1 chain 0.0027 0.0035 0.0081
Loa Loa (eye worm) hypothetical protein 0.0029 0.0046 0.0127
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Toxoplasma gondii beta-tubulin, putative 0.0027 0.0035 0.2101
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0046 0.3278
Schistosoma mansoni hypothetical protein 0.0343 0.2745 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0818 0.3337
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0176 1
Plasmodium falciparum importin beta, putative 0.0029 0.0046 0.0114
Echinococcus granulosus importin subunit beta 1 0.0029 0.0046 0.0041
Trypanosoma brucei beta tubulin 0.0027 0.0035 0.2101
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1189 0.4258
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0109 1
Brugia malayi O-methyltransferase family protein 0.0123 0.086 0.7193
Plasmodium falciparum tubulin beta chain 0.0027 0.0035 0.0073
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0337 0.269 1
Loa Loa (eye worm) O-methyltransferase 0.0123 0.086 0.351
Schistosoma mansoni hypothetical protein 0.0343 0.2745 1
Leishmania major beta tubulin 0.0027 0.0035 0.3247
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0176 1
Onchocerca volvulus 0.0123 0.086 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0818 0.3337

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -5.4 Binding affinity towards Melanocortin 1 receptor, expressed as negative log of the Ki value ChEMBL. 12801221
Ki (binding) = -5.3 Binding affinity towards Melanocortin 3 receptor, expressed as negative log of the Ki value ChEMBL. 12801221
Ki (binding) = -4.5 Binding affinity towards Melanocortin 4 receptor, expressed as negative log of the Ki value ChEMBL. 12801221
Ki (binding) = -3 Binding affinity towards Melanocortin 5 receptor , expressed as negative log of the Ki value ChEMBL. 12801221
Ki (binding) uM Tested for its binding affinity in competition with [125I]-NDP-MSH on recombinant Melanocortin 5 receptor; nb = no binding ChEMBL. 11909712
Ki (binding) = 4.5 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 1 receptor ChEMBL. 11909712
Ki (binding) = 4.8 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 3 receptor ChEMBL. 11909712
Ki (binding) = 30 uM Binding affinity in competition with [125I]-NDP-MSH on recombinant melanocortin 4 receptor ChEMBL. 11909712
Log Ki (binding) = 3 Binding affinity towards Melanocortin 5 receptor , expressed as negative log of the Ki value ChEMBL. 12801221
Log Ki (binding) = 4.5 Binding affinity towards Melanocortin 4 receptor, expressed as negative log of the Ki value ChEMBL. 12801221
Log Ki (binding) = 5.3 Binding affinity towards Melanocortin 3 receptor, expressed as negative log of the Ki value ChEMBL. 12801221
Log Ki (binding) = 5.4 Binding affinity towards Melanocortin 1 receptor, expressed as negative log of the Ki value ChEMBL. 12801221

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

2 literature references were collected for this gene.

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