Detailed information for compound 328207

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 580.613 | Formula: C28H39Cl2N5O2S
  • H donors: 3 H acceptors: 2 LogP: 3.53 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCCC(=O)N[C@@H](C(=O)N1CCN(CC1)C1(CNCc2cccs2)CCCCC1)Cc1ccc(cc1Cl)Cl
  • InChi: 1S/C28H39Cl2N5O2S/c29-22-7-6-21(24(30)18-22)17-25(33-26(36)8-11-31)27(37)34-12-14-35(15-13-34)28(9-2-1-3-10-28)20-32-19-23-5-4-16-38-23/h4-7,16,18,25,32H,1-3,8-15,17,19-20,31H2,(H,33,36)/t25-/m1/s1
  • InChiKey: XQPGJXQZZJHBDT-RUZDIDTESA-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
Homo sapiens melanocortin 3 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) Starlite/ChEMBL References
Homo sapiens melanocortin 4 receptor Starlite/ChEMBL References
Homo sapiens melanocortin 5 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
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 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
Schistosoma mansoni tubulin subunit beta 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
Toxoplasma gondii beta-tubulin, 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
Echinococcus multilocularis Tubulin beta 2C chain Get druggable targets OG5_126611 All targets in OG5_126611
Echinococcus multilocularis 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
Trypanosoma brucei gambiense 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 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
Schistosoma mansoni tubulin subunit beta 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 braziliensis 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
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
Leishmania mexicana 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
Toxoplasma gondii beta-1 tubulin, putative 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 major 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
Schistosoma japonicum Tubulin beta-4 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
Loa Loa (eye worm) 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
Echinococcus multilocularis tubulin, beta 4A class IVa 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 granulosus tubulin beta 1 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 japonicum Tubulin beta chain, putative 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
Leishmania braziliensis 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
Trichomonas vaginalis tubulin, putative 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
Plasmodium yoelii 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
Trypanosoma cruzi 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
Loa Loa (eye worm) tubulin beta-4 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 japonicum ko:K07375 tubulin beta, 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 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
Leishmania major beta tubulin 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
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 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
Trypanosoma brucei gambiense 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
Neospora caninum hypothetical protein 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
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
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 japonicum 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 mansoni tubulin subunit beta 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
Schistosoma japonicum Tubulin beta 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
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
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
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
Leishmania braziliensis 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
Loa Loa (eye worm) BEN-1 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
Brugia malayi Tubulin beta-1 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
Echinococcus multilocularis tubulin beta 1 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
Babesia bovis tubulin beta 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
Leishmania mexicana beta tubulin 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
Echinococcus granulosus tubulin beta 4A class IVa 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
Trichomonas vaginalis tubulin epsilon 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
Trichomonas vaginalis 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
Echinococcus granulosus Tubulin beta 2C 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 mexicana Get druggable targets OG5_126611 All targets in OG5_126611
Leishmania infantum 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
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
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
Entamoeba histolytica hypothetical protein 0.0036 0.0092 0.0776
Trypanosoma brucei cdc2-related kinase 1 0.0092 0.1179 0.2441
Loa Loa (eye worm) hypothetical protein 0.009 0.1137 0.1137
Loa Loa (eye worm) hypothetical protein 0.0054 0.0425 0.0425
Echinococcus multilocularis geminin 0.0172 0.2735 0.2735
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1179 0.1179
Trichomonas vaginalis CMGC family protein kinase 0.0092 0.1179 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0425 0.3412
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0035 0.0072
Brugia malayi Protein kinase domain containing protein 0.0092 0.1179 0.2441
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0425 0.088
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0035 0.0072
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.4334 0.4334
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0035 0.0035
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0543 1 1
Brugia malayi Adenosine kinase-like 0.0279 0.4829 1
Mycobacterium ulcerans carbohydrate kinase CbhK 0.0032 0 0.5
Brugia malayi hypothetical protein 0.0035 0.0054 0.0113
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0035 0.0035
Trichomonas vaginalis CMGC family protein kinase 0.0092 0.1179 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0366 0.0759
Echinococcus granulosus geminin 0.0172 0.2735 0.2735
Trichomonas vaginalis CMGC family protein kinase 0.0092 0.1179 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0285 0.0285
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.4334 0.4334
Trypanosoma cruzi adenosine kinase, putative 0.0279 0.4829 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0035 0.0035
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0425 0.088
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0543 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0091 0.1166 0.2414
Loa Loa (eye worm) hypothetical protein 0.0543 1 1
Brugia malayi Pax transcription factor protein 2 0.0244 0.4145 0.8585
Echinococcus multilocularis adenosine kinase 0.0279 0.4829 0.4829
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0425 0.088
Echinococcus granulosus cyclin dependent kinase 1 0.0092 0.1179 0.1179
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0092 0.1179 0.2441
Entamoeba histolytica protein kinase, putative 0.0091 0.1166 0.9888
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0285 0.059
Brugia malayi hypothetical protein 0.0153 0.2372 0.4911
Entamoeba histolytica protein kinase domain containing protein 0.0091 0.1166 0.9888
Echinococcus multilocularis cyclin dependent kinase 5 0.0092 0.1179 0.1179
Entamoeba histolytica hypothetical protein 0.0036 0.0092 0.0776
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0092 0.1179 0.2441
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0035 0.0072
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0035 0.0072
Brugia malayi hypothetical protein 0.026 0.4463 0.9244
Echinococcus granulosus cyclin dependent kinase 5 0.0092 0.1179 0.1179
Loa Loa (eye worm) hypothetical protein 0.0035 0.0054 0.0054
Brugia malayi hypothetical protein 0.0054 0.0425 0.088
Echinococcus multilocularis dual specificity 0.0091 0.1166 0.1166
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0285 0.0285
Brugia malayi isocitrate dehydrogenase 0.0034 0.0035 0.0072
Trypanosoma cruzi cdc2-related kinase 1 0.0092 0.1179 0.2441
Loa Loa (eye worm) hypothetical protein 0.0051 0.0366 0.0366
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0091 0.1166 0.2414
Echinococcus multilocularis cyclin dependent kinase 1 0.0092 0.1179 0.1179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0285 0.0285
Echinococcus granulosus cyclin dependent kinase 0.0092 0.1179 0.1179
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0092 0.1179 0.1179
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0092 0.1179 0.1179
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0425 0.088
Loa Loa (eye worm) hypothetical protein 0.0153 0.2372 0.2372
Schistosoma mansoni hypothetical protein 0.0172 0.2735 0.2735
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0035 0.0035
Entamoeba histolytica hypothetical protein 0.0091 0.1166 0.9888
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0091 0.1166 0.2414
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0285 0.0285
Onchocerca volvulus 0.0153 0.2372 0.5636
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0035 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0035 0.0035
Schistosoma mansoni hypothetical protein 0.0172 0.2735 0.2735
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0366 0.0759
Trypanosoma brucei cdc2-related kinase 3 0.0092 0.1179 0.2441
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.0091 0.1151 0.1151
Echinococcus granulosus adenosine kinase 0.0279 0.4829 0.4829
Plasmodium vivax protein kinase Crk2 0.0092 0.1179 1
Entamoeba histolytica hypothetical protein 0.0036 0.0092 0.0776
Brugia malayi Protein kinase domain containing protein 0.0091 0.1166 0.2414
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0092 0.0092
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0092 0.1179 0.1179
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0035 0.0072
Loa Loa (eye worm) hypothetical protein 0.026 0.4463 0.4463
Giardia lamblia Kinase, CMGC CDK 0.0092 0.1179 1
Entamoeba histolytica protein kinase, putative 0.0091 0.1166 0.9888
Loa Loa (eye worm) hypothetical protein 0.009 0.1137 0.1137
Entamoeba histolytica cell division protein kinase 2, putative 0.0092 0.1179 1
Schistosoma mansoni adenosine kinase 0.0279 0.4829 0.4829
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0035 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0285 0.0285
Schistosoma mansoni adenosine kinase 0.0279 0.4829 0.4829
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0092 0.1179 0.2441
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0285 0.0285
Leishmania major adenosine kinase, putative 0.0279 0.4829 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0054 0.0112
Plasmodium falciparum protein kinase 5 0.0092 0.1179 1
Onchocerca volvulus 0.0247 0.4208 1
Trypanosoma cruzi cdc2-related kinase 3 0.0092 0.1179 0.2441
Trypanosoma cruzi cdc2-related kinase 3 0.0092 0.1179 0.2441
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0035 0.0072
Trypanosoma cruzi adenosine kinase, putative 0.0279 0.4829 1
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1179 0.1179
Echinococcus multilocularis cyclin dependent kinase 1 0.0092 0.1179 0.1179
Mycobacterium ulcerans fructokinase, PfkB 0.0032 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0279 0.4829 0.4829
Trypanosoma cruzi cdc2-related kinase 1 0.0092 0.1179 0.2441
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0366 0.0366
Giardia lamblia Kinase, CMGC CDK 0.0092 0.1179 1
Schistosoma mansoni hypothetical protein 0.0089 0.1112 0.1112
Leishmania major hypothetical protein, conserved 0.0054 0.0425 0.088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0285 0.0285
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.1166 0.1166
Entamoeba histolytica hypothetical protein 0.0036 0.0092 0.0776
Onchocerca volvulus 0.0244 0.4145 0.9852
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0035 0.0035
Toxoplasma gondii kinase, pfkB family protein 0.0279 0.4829 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0425 0.3412
Schistosoma mansoni hypothetical protein 0.0036 0.0092 0.0092
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0092 0.1179 0.1179
Echinococcus multilocularis cyclin dependent kinase 0.0092 0.1179 0.1179
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0035 0.0035
Brugia malayi cell division control protein 2 homolog 0.0092 0.1179 0.2441
Loa Loa (eye worm) hypothetical protein 0.026 0.4463 0.4463
Loa Loa (eye worm) pax transcription factor protein 2 0.0244 0.4145 0.4145
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0092 0.0092
Echinococcus granulosus dual specificity 0.0091 0.1166 0.1166
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0035 0.0072
Trypanosoma brucei adenosine kinase, putative 0.0279 0.4829 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0092 0.0092
Mycobacterium leprae Probable adenosine kinase adk 0.0032 0 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0035 0.0072
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0091 0.1166 0.1166
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0091 0.1166 0.2414
Brugia malayi hypothetical protein 0.0036 0.0092 0.019
Entamoeba histolytica cell division protein kinase 2, putative 0.0092 0.1179 1
Schistosoma mansoni hypothetical protein 0.0035 0.0054 0.0054
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0425 0.3412
Trypanosoma brucei adenosine kinase, putative 0.0279 0.4829 1
Brugia malayi MH2 domain containing protein 0.0253 0.4334 0.8975
Trypanosoma brucei RNA helicase, putative 0.0089 0.1112 0.2303

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) 0 nM Inhibition of [125I]-AgRP(83132) (radioligand) binding to the hMC4R stably expressed in HEK293 cells; (N.D.=Not Determined) ChEMBL. 15950470
Ki (functional) 0 nM Dose-dependent inhibition of cAMP production stimulated by 10 nM a-MSH in HEK293 cells; (N.D.=Not Determined) ChEMBL. 15950470
Ki (binding) = 12 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to the hMC4R stably expressed in HEK293 cells ChEMBL. 15950470
Ki (binding) = 12 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to the hMC4R stably expressed in HEK293 cells ChEMBL. 15950470
Ki (binding) = 1900 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC5R stably expressed in HEK293 cells ChEMBL. 15950470
Ki (binding) = 1900 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC5R stably expressed in HEK293 cells ChEMBL. 15950470
Ki (binding) = 2400 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC3R stably expressed in HEK293 cells ChEMBL. 15950470
Ki (binding) = 2400 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to the human MC3R stably expressed in HEK293 cells ChEMBL. 15950470
Ki (binding) = 4500 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells ChEMBL. 15950470
Ki (binding) = 4500 nM Inhibition of [125I]-NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells ChEMBL. 15950470
Stimulation (functional) = 8.1 % Stimulation of cAMP levels in the HEK293 cell line at 10 uM ChEMBL. 15950470
Stimulation (functional) = 8.1 % Stimulation of cAMP levels in the HEK293 cell line at 10 uM ChEMBL. 15950470

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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