Detailed information for compound 942170

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2461.74 | Formula: C117H161N33O27
  • H donors: 22 H acceptors: 28 LogP: -3.78 Rotable bonds: 65
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)Cc1[nH]cnc1)Cc1ccc2c(c1)cccc2)CCCNC(=N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)C
  • InChi: 1S/C117H161N33O27/c1-3-4-24-76(102(163)141-81-54-91(152)122-39-10-9-26-75(101(118)162)136-105(166)79(52-71-55-124-74-25-8-7-23-73(71)74)139-103(164)77(27-11-40-123-117(119)120)137-104(165)78(51-68-37-38-69-21-5-6-22-70(69)50-68)138-106(167)80(140-107(81)168)53-72-56-121-66-134-72)135-92(153)57-125-109(170)83-29-13-42-143(83)94(155)59-127-111(172)85-31-15-44-145(85)96(157)61-129-113(174)87-33-17-46-147(87)98(159)63-131-115(176)89-35-19-48-149(89)100(161)65-133-116(177)90-36-20-49-150(90)99(160)64-132-114(175)88-34-18-47-148(88)97(158)62-130-112(173)86-32-16-45-146(86)95(156)60-128-110(171)84-30-14-43-144(84)93(154)58-126-108(169)82-28-12-41-142(82)67(2)151/h5-8,21-23,25,37-38,50,55-56,66,75-90,124H,3-4,9-20,24,26-36,39-49,51-54,57-65H2,1-2H3,(H2,118,162)(H,121,134)(H,122,152)(H,125,170)(H,126,169)(H,127,172)(H,128,171)(H,129,174)(H,130,173)(H,131,176)(H,132,175)(H,133,177)(H,135,153)(H,136,166)(H,137,165)(H,138,167)(H,139,164)(H,140,168)(H,141,163)(H4,119,120,123)/t75-,76-,77-,78+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m0/s1
  • InChiKey: DGTKROVZJDRRNK-LDSOYGSKSA-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 4 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dihydrofolate reductase 0.0048 0.0041 0.0029
Onchocerca volvulus 0.0262 0.0349 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0043 0.0034 0.1113
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0043 0.0034 0.1237
Onchocerca volvulus 0.0043 0.0034 0.0647
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0043 0.0034 0.0022
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0048 0.0041 0.0014
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni sodium/chloride dependent transporter 0.0028 0.0012 0.0166
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.0021 0.0967
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0043 0.0034 0.0022
Brugia malayi G protein-coupled receptor 0.0043 0.0034 0.1113
Brugia malayi Serotonin receptor 0.0043 0.0034 0.1113
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0393
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0393
Schistosoma mansoni neuropeptide receptor 0.0043 0.0034 0.1237
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0167 0.0212 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0043 0.0034 0.1237
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.6949 1 1
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0087 0.0097 0.4564
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0013 0.0001
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0087 0.0097 0.4564
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0046 0.1532
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Brugia malayi neuropeptide F receptor 0.0043 0.0034 0.1113
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0119 0.0143 0.0133
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0043 0.0034 0.1113
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0019 0.0007
Schistosoma mansoni growth hormone secretagogue receptor 0.0043 0.0034 0.1237
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0017 0.0005
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0034 0.0021 0.0438
Echinococcus granulosus leucyl tRNA synthetase 0.0087 0.0097 0.0085
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0028 0.0012 0.0393
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.0021 0.0975
Schistosoma mansoni amine GPCR 0.0043 0.0034 0.1237
Brugia malayi follicle stimulating hormone receptor 0.0043 0.0034 0.1113
Onchocerca volvulus Neuropeptide F receptor homolog 0.0043 0.0034 0.0647
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0028 0.0012 0.0166
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.0162 0.0156
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0139 0.0171 0.0166
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.0021 0.0597
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0087 0.0097 0.0085
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0043 0.0034 0.0022
Brugia malayi glutathione reductase 0.0052 0.0046 0.1532
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0043 0.0034 0.1113
Echinococcus granulosus g protein coupled receptor 0.0043 0.0034 0.0022
Echinococcus multilocularis g protein coupled receptor 0.0043 0.0034 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0019 0.0495
Onchocerca volvulus 0.0043 0.0034 0.0647
Echinococcus multilocularis orexin receptor type 2 0.0043 0.0034 0.0022
Schistosoma mansoni hypothetical protein 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis fmrfamide receptor 0.0043 0.0034 0.0022
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0043 0.0034 0.1113
Echinococcus granulosus cysteinyl tRNA synthetase 0.0087 0.0097 0.0085
Brugia malayi Flap endonuclease-1 0.0029 0.0013 0.0414
Loa Loa (eye worm) thymidylate synthase 0.0119 0.0142 0.47
Echinococcus multilocularis g protein coupled receptor 0.0043 0.0034 0.0022
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0046 0.2187
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5981 0.8603 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus sex peptide receptor 0.0043 0.0034 0.0022
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5981 0.8603 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0043 0.0034 0.1237
Echinococcus granulosus neuropeptide s receptor 0.0043 0.0034 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Echinococcus granulosus neuropeptides capa receptor 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0393
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Loa Loa (eye worm) serotonin transporter b 0.0167 0.0212 0.6999
Brugia malayi larval opioid receptor 0.0043 0.0034 0.1113
Schistosoma mansoni biogenic amine (5HT) receptor 0.0043 0.0034 0.1237
Brugia malayi Thioredoxin reductase 0.0052 0.0046 0.1532
Schistosoma mansoni neuropeptide F-like receptor 0.0043 0.0034 0.1237
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0119 0.0143 0.0133
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0043 0.0034 0.0022
Brugia malayi RE15519p 0.0043 0.0034 0.1113
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Onchocerca volvulus 0.0043 0.0034 0.0647
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0028 0.0012 0.0393
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0028 0.0012 0.0166
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0034 0.0021 0.0967
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0046 0.002
Schistosoma mansoni alpha-1 adrenergic receptor 0.0043 0.0034 0.1237
Schistosoma mansoni amine GPCR 0.0043 0.0034 0.1237
Schistosoma mansoni adenoreceptor 0.0043 0.0034 0.1237
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0013 0.0031
Schistosoma mansoni biogenic amine receptor 0.0043 0.0034 0.1237
Schistosoma mansoni neuropeptide receptor 0.0043 0.0034 0.1237
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0043 0.0034 0.1237
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0028 0.0012 0.0166
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Plasmodium falciparum flap endonuclease 1 0.0029 0.0013 0.0031
Brugia malayi thymidylate synthase 0.0119 0.0142 0.47
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0393
Onchocerca volvulus 0.0043 0.0034 0.0647
Loa Loa (eye worm) melatonin receptor type 1A 0.0043 0.0034 0.1113
Loa Loa (eye worm) glutathione reductase 0.0052 0.0046 0.1532
Onchocerca volvulus 0.0043 0.0034 0.0647
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0043 0.0034 0.1237
Echinococcus multilocularis neuropeptides capa receptor 0.0043 0.0034 0.0022
Echinococcus multilocularis thymidylate synthase 0.0119 0.0142 0.0131
Echinococcus granulosus fmrfamide receptor 0.0043 0.0034 0.0022
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0068 0.0079
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0167 0.0212 1
Brugia malayi GnHR receptor homolog 0.0043 0.0034 0.1113
Mycobacterium ulcerans thymidylate synthase 0.0119 0.0142 0.0166
Mycobacterium tuberculosis Probable dehydrogenase 0.0119 0.0143 0.0133
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0019 0.0007
Echinococcus granulosus neuropeptides capa receptor 0.0043 0.0034 0.0022
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Schistosoma mansoni biogenic amine receptor 0.0043 0.0034 0.1237
Brugia malayi AKH receptor 0.0043 0.0034 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0043 0.0034 0.0022
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0189 0.0244 0.1393
Echinococcus granulosus neuropeptide Y receptor 0.0043 0.0034 0.0022
Schistosoma mansoni amine GPCR 0.0043 0.0034 0.1237
Schistosoma mansoni biogenic amine receptor 0.0043 0.0034 0.1237
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0167 0.0212 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0013 0.0591
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0087 0.0097 0.4564
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.0162 0.0156
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis G-protein coupled receptor, putative 0.0043 0.0034 0.0022
Onchocerca volvulus 0.0043 0.0034 0.0647
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0068 0.0045
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0053 0.1189
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0028 0.0012 0.0393
Echinococcus granulosus serotonin receptor 0.0043 0.0034 0.0022
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0068 0.3197
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0019 0.0334
Loa Loa (eye worm) TYRA-2 protein 0.0043 0.0034 0.1113
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0043 0.0034 0.1113
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0046 0.1722
Plasmodium vivax cysteine--tRNA ligase, putative 0.0087 0.0097 0.4241
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0013 0.0591
Brugia malayi G-protein coupled receptor 0.0043 0.0034 0.1113
Loa Loa (eye worm) G-protein coupled receptor 0.0043 0.0034 0.1113
Brugia malayi Pre-SET motif family protein 0.0033 0.0019 0.0615
Schistosoma mansoni biogenic amine (5HT) receptor 0.0043 0.0034 0.1237
Chlamydia trachomatis dihydrofolate reductase 0.0048 0.0041 0.0708
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0119 0.0143 0.0133
Mycobacterium ulcerans glycosyltransferase 0.004 0.0029 0.0034
Brugia malayi putative neuropeptide receptor 0.0043 0.0034 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0087 0.0097 0.0113
Loa Loa (eye worm) neuropeptide F receptor 0.0043 0.0034 0.1113
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0189 0.0244 0.5679
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0043 0.0034 0.0647
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0043 0.0034 0.1113
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0013 0.0591
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0167 0.0212 0.6999
Echinococcus granulosus neuropeptide FF receptor 2 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0034 0.0021 0.0009
Brugia malayi G protein-coupled receptor F59B2.13 0.0043 0.0034 0.1113
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0013 0.0414
Echinococcus multilocularis g-protein coupled receptor 0.0043 0.0034 0.0022
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0119 0.0142 0.6577
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0043 0.0034 0.0022
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0013 0.0031
Brugia malayi neuropeptide F receptor 0.0043 0.0034 0.1113
Loa Loa (eye worm) neuropeptide F receptor 0.0043 0.0034 0.1113
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0087 0.0097 0.2508
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0028 0.0012 0.0393
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0043 0.0034 0.0022
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0043 0.0034 0.1113
Onchocerca volvulus 0.0043 0.0034 0.0647
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.0162 0.0156
Schistosoma mansoni hypothetical protein 0.0043 0.0034 0.1237
Echinococcus multilocularis neuropeptides capa receptor 0.0043 0.0034 0.0022
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0043 0.0034 0.1113
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0019 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus g-protein coupled receptor 0.0043 0.0034 0.0022
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.0021 0.0683
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni hypothetical protein 0.0043 0.0034 0.1237
Onchocerca volvulus 0.0043 0.0034 0.0647
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0046 0.0035
Echinococcus multilocularis neuropeptide receptor A26 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.0021 0.0438
Onchocerca volvulus 0.0033 0.0019 0.0199
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus g protein coupled receptor 0.0043 0.0034 0.0022
Echinococcus granulosus thymidylate synthase 0.0119 0.0142 0.0131
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0087 0.0097 0.3198
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Schistosoma mansoni opsin-like receptor 0.0043 0.0034 0.1237
Plasmodium vivax glutathione reductase, putative 0.0052 0.0046 0.1722
Loa Loa (eye worm) hypothetical protein 0.0167 0.0212 0.6999
Echinococcus multilocularis neuropeptide FF receptor 2 0.0043 0.0034 0.0022
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Onchocerca volvulus 0.0087 0.0097 0.2522
Schistosoma mansoni opsin-like receptor 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0312 0.0421 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0167 0.0212 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0043 0.0034 0.1237
Echinococcus multilocularis neuropeptide receptor 0.0043 0.0034 0.0022
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Echinococcus multilocularis neuropeptide s receptor 0.0043 0.0034 0.0022
Plasmodium falciparum glutathione reductase 0.0052 0.0046 0.1722
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0028 0.0012 0.0166
Schistosoma mansoni sodium/chloride dependent transporter 0.0167 0.0212 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0034 0.0021 0.0009
Loa Loa (eye worm) hypothetical protein 0.0087 0.0097 0.3198
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0043 0.0034 0.0022
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0043 0.0034 0.0022
Mycobacterium tuberculosis Probable reductase 0.0119 0.0143 0.0133
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Leishmania major cysteinyl-tRNA synthetase, putative 0.0087 0.0097 0.4564
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0119 0.0142 0.0132
Brugia malayi Dihydrofolate reductase 0.0048 0.0041 0.135
Onchocerca volvulus 0.0043 0.0034 0.0647
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Onchocerca volvulus 0.0043 0.0034 0.0647
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0043 0.0034 0.1237
Echinococcus multilocularis g protein coupled receptor 0.0043 0.0034 0.0022
Onchocerca volvulus 0.0043 0.0034 0.0647
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.082 0.1155 0.1313
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0393
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0043 0.0034 0.1237
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0068 0.2914
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.0021 0.0975
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.0021 0.0975
Onchocerca volvulus 0.0043 0.0034 0.0647
Schistosoma mansoni amine GPCR 0.0043 0.0034 0.1237
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0119 0.0143 0.0133
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0167 0.0212 1
Echinococcus granulosus tm gpcr rhodopsin 0.0043 0.0034 0.0022
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0048 0.0041 0.0014
Schistosoma mansoni sodium/chloride dependent transporter 0.0028 0.0012 0.0166
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0393
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0167 0.0212 1
Echinococcus granulosus G protein coupled receptor 139 0.0043 0.0034 0.0022
Brugia malayi Dopamine receptor protein 2 0.0043 0.0034 0.1113
Brugia malayi sulfakinin receptor protein 0.0043 0.0034 0.1113
Plasmodium falciparum cysteine--tRNA ligase 0.0087 0.0097 0.4241
Giardia lamblia Cysteinyl-tRNA synthetase 0.0087 0.0097 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0068 0.0056
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0068 0.0056
Echinococcus granulosus somatostatin receptor 0.0043 0.0034 0.0022
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.0021 0.0597
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0028 0.0012 0.0166
Mycobacterium leprae Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5981 0.8603 1
Brugia malayi ORL1-like opioid receptor 0.0043 0.0034 0.1113
Schistosoma mansoni neuropeptide F-like receptor 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0043 0.0034 0.0022
Toxoplasma gondii thioredoxin reductase 0.0052 0.0046 0.1722
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0043 0.0034 0.1237
Echinococcus granulosus alpha 1A adrenergic receptor 0.0043 0.0034 0.0022
Echinococcus granulosus 7TM GPCR rhodopsin 0.0043 0.0034 0.0022
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0043 0.0034 0.1237
Leishmania major trypanothione reductase 0.0052 0.0046 0.2187
Onchocerca volvulus 0.0043 0.0034 0.0647
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0048 0.0041 0.0048
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Onchocerca volvulus 0.0043 0.0034 0.0647
Brugia malayi Pre-SET motif family protein 0.023 0.0303 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0019 0.0334
Echinococcus granulosus peptide allatostatin:somatostatin 0.0043 0.0034 0.0022
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0068 0.2914
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0028 0.0012 0.0166
Echinococcus granulosus biogenic amine 5HT receptor 0.0043 0.0034 0.0022
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0087 0.0097 0.4341
Echinococcus granulosus flap endonuclease 1 0.0029 0.0013 0.0001
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0043 0.0034 0.1237
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.082 0.1155 0.1313
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0028 0.0012 0.0393
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus tachykinin peptides receptor 99D 0.0043 0.0034 0.0022
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0015 0.0505
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0043 0.0034 0.1113
Brugia malayi Dopamine receptor protein 1 0.0043 0.0034 0.1113
Brugia malayi Dopamine receptor 0.0043 0.0034 0.1113
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0028 0.0012 0.0166
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0139 0.0171 0.0166
Echinococcus granulosus hypothetical protein 0.0043 0.0034 0.0022
Echinococcus granulosus neuropeptide Y receptor 0.0043 0.0034 0.0022
Echinococcus granulosus neuropeptide receptor 0.0043 0.0034 0.0022
Loa Loa (eye worm) norepinephrine transporter 0.0167 0.0212 0.6999
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.082 0.1155 0.1342
Loa Loa (eye worm) G-protein coupled receptor 0.0043 0.0034 0.1113
Schistosoma mansoni neuropeptide receptor 0.0043 0.0034 0.1237
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0043 0.0034 0.1237
Brugia malayi Melatonin receptor type 1A 0.0043 0.0034 0.1113
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.0303 1
Chlamydia trachomatis cysteine--tRNA ligase 0.0087 0.0097 0.2077
Echinococcus granulosus serotonin transporter 0.0167 0.0212 0.02
Echinococcus granulosus dro:myosuppressin receptor 0.0043 0.0034 0.0022
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0119 0.0143 0.0133
Treponema pallidum sodium- and chloride- dependent transporter 0.0167 0.0212 0.3554
Echinococcus multilocularis dro:myosuppressin receptor 0.0043 0.0034 0.0022
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0068 0.0079
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni sodium-dependent amino acid transporter 0.0028 0.0012 0.0166
Echinococcus multilocularis sex peptide receptor 0.0043 0.0034 0.0022
Echinococcus granulosus 7tm_1 domain containing protein 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0034 0.0021 0.0975
Onchocerca volvulus 0.0043 0.0034 0.0647
Loa Loa (eye worm) dihydrofolate reductase 0.0048 0.0041 0.135
Trichomonas vaginalis set domain proteins, putative 0.0262 0.0349 1
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0034 0.0021 0.0438
Onchocerca volvulus 0.0043 0.0034 0.0647
Schistosoma mansoni dihydrofolate reductase 0.0048 0.0041 0.1589
Brugia malayi hypothetical protein 0.0056 0.0053 0.1734
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0046 0.0035
Trypanosoma brucei trypanothione reductase 0.0052 0.0046 0.2187
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0019 0.0007
Brugia malayi dihydrofolate reductase family protein 0.0048 0.0041 0.135
Echinococcus multilocularis serotonin receptor 0.0043 0.0034 0.0022
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0056 0.0053 0.2475
Brugia malayi Serotonin receptor 0.0043 0.0034 0.1113
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0034 0.0021 0.0243
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0043 0.0034 0.1113
Brugia malayi putative neuropeptide receptor NPR1 0.0043 0.0034 0.1113
Echinococcus multilocularis neuropeptide receptor 0.0043 0.0034 0.0022
Schistosoma mansoni amine GPCR 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0028 0.0012 0.0393
Echinococcus granulosus tm gpcr rhodopsin 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus biogenic amine 5HT receptor 0.0043 0.0034 0.0022
Echinococcus multilocularis serotonin transporter 0.0167 0.0212 0.02
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0087 0.0097 0.4341
Brugia malayi hypothetical protein 0.0028 0.0012 0.0393
Echinococcus granulosus neuropeptide receptor 0.0043 0.0034 0.0022
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0028 0.0012 0.0166
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus granulosus g protein coupled receptor 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0034 0.0021 0.0683
Echinococcus multilocularis fmrfamide receptor 0.0043 0.0034 0.0022
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0189 0.0244 0.4547
Echinococcus multilocularis allatostatin A receptor 0.0043 0.0034 0.0022
Schistosoma mansoni neuropeptide f receptor 76f 0.0043 0.0034 0.1237
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0028 0.0012 0.0393
Plasmodium falciparum thioredoxin reductase 0.0052 0.0046 0.1722
Mycobacterium tuberculosis Hypothetical protein 0.0056 0.0053 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0019 0.0495
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0019 0.0495
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0087 0.0097 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0212 0.6999
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0043 0.0034 0.1113
Echinococcus granulosus allatostatin A receptor 0.0043 0.0034 0.0022
Loa Loa (eye worm) hypothetical protein 0.0167 0.0212 0.6999
Schistosoma mansoni myosin xvIII 0.0043 0.0034 0.1237
Echinococcus multilocularis neuropeptide Y receptor 0.0043 0.0034 0.0022
Echinococcus multilocularis G protein coupled receptor 139 0.0043 0.0034 0.0022
Brugia malayi G-protein coupled receptor 0.0043 0.0034 0.1113
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Brugia malayi hypothetical protein 0.0043 0.0034 0.1113
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0087 0.0097 0.4241
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Echinococcus granulosus orexin receptor type 2 0.0043 0.0034 0.0022
Echinococcus granulosus neuropeptide receptor A26 0.0043 0.0034 0.0022
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0043 0.0034 0.0022
Onchocerca volvulus 0.0167 0.0212 0.594
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0119 0.0142 0.0132
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0043 0.0034 0.0022
Onchocerca volvulus 0.0043 0.0034 0.0647
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Onchocerca volvulus 0.0034 0.0021 0.0261
Echinococcus multilocularis neuropeptide Y receptor 0.0043 0.0034 0.0022
Brugia malayi Cytochrome P450 family protein 0.0031 0.0015 0.0505
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0043 0.0034 0.0022
Schistosoma mansoni hypothetical protein 0.0043 0.0034 0.1237
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0034 0.0022
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0043 0.0034 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0167 0.0212 1
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0068 0.2792
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0043 0.0034 0.0022
Schistosoma mansoni histamine h1 receptor 0.0043 0.0034 0.1237
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0034 0.0021 0.0024
Loa Loa (eye worm) hypothetical protein 0.0033 0.0019 0.0615
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0087 0.0097 0.3198
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.0162 0.0156
Loa Loa (eye worm) solute carrier family 6 member 4 0.0167 0.0212 0.6999
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Echinococcus multilocularis serotonin receptor 0.0043 0.0034 0.0022
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0043 0.0034 0.0022
Echinococcus multilocularis dihydrofolate reductase 0.0048 0.0041 0.0029
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0189 0.0244 0.0284
Onchocerca volvulus 0.0119 0.0142 0.3873
Schistosoma mansoni opsin-like receptor 0.0043 0.0034 0.1237
Schistosoma mansoni neuropeptide receptor 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.082 0.1155 1
Echinococcus multilocularis somatostatin receptor 0.0043 0.0034 0.0022
Plasmodium falciparum cysteine--tRNA ligase 0.0087 0.0097 0.4241
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0068 0.0079
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0043 0.0034 0.1237
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.1113
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0312 0.0421 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 8.09 Displacement of Eu-DTPA-NDP-a-MSH chelate from human melanocortin-4 receptor expressed in HEK293 cells after 1 hr by competitive DELFIA assay ChEMBL. 25438759
EC50 (binding) = 8.1 nM Displacement of Eu-DTPA-NDP-a-MSH chelate from human melanocortin-4 receptor expressed in HEK293 cells after 1 hr by competitive DELFIA assay ChEMBL. 25438759

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.