Detailed information for compound 408238

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1018.3 | Formula: C48H87N15O9
  • H donors: 15 H acceptors: 9 LogP: -4.43 Rotable bonds: 43
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCCC(NC(=O)CNC(=O)C(CNCCN)CNCCN)CN[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)Cc1ccc(cc1)O)CCCN=C(N)N
  • InChi: 1S/C48H87N15O9/c1-5-31(4)41(45(69)61-38(47(71)72)24-30(2)3)62-43(67)37(25-32-13-15-35(64)16-14-32)60-44(68)39-12-9-23-63(39)46(70)36(11-8-20-56-48(52)53)57-28-34(10-6-7-17-49)59-40(65)29-58-42(66)33(26-54-21-18-50)27-55-22-19-51/h13-16,30-31,33-34,36-39,41,54-55,57,64H,5-12,17-29,49-51H2,1-4H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t31?,34?,36-,37-,38-,39-,41-/m0/s1
  • InChiKey: DMDCNLGMRLTMHD-UPDASQLUSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0123 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0123 0.1332 0.1332
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0036 0.0132 0.0132
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.015 0.0008
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0753 1 1
Schistosoma mansoni amine GPCR 0.0379 0.4857 0.4857
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Schistosoma mansoni hypothetical protein 0.0028 0.0019 0.0019
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0049 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.015 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0287 0.0287
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0213 0.0072
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0036 0.0132 0.0132
Leishmania major nitrate reductase, putative 0.0086 0.0814 0.0674
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0049 0.0312 0.0312
Echinococcus multilocularis neuropeptide s receptor 0.0502 0.654 0.654
Loa Loa (eye worm) hypothetical protein 0.0048 0.0294 0.0294
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0288 0.36 0.3502
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0086 0.0814 0.0814
Brugia malayi Bromodomain containing protein 0.0031 0.0067 0.0067
Treponema pallidum flavodoxin 0.0288 0.36 1
Trypanosoma brucei NADH-dependent fumarate reductase 0.0086 0.0814 0.0674
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0287 0.0287
Schistosoma mansoni glutaminase 0.0283 0.3529 0.3529
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0049 0.0312 0.0312
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0288 0.36 0.3502
Loa Loa (eye worm) hypothetical protein 0.0036 0.0132 0.0132
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0049 0.0312 0.0312
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0086 0.0814 0.0814
Entamoeba histolytica type A flavoprotein, putative 0.0288 0.36 1
Leishmania major cytochrome-b5 reductase, putative 0.0086 0.0814 0.0674
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0753 1 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.015 0.0008
Brugia malayi jmjC domain containing protein 0.0091 0.0893 0.0893
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0048 0.0294 0.0294
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.0178 0.0178
Schistosoma mansoni nAChR subunit 0.0049 0.0312 0.0312
Schistosoma mansoni nAChR subunit 0.0049 0.0312 0.0312
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0288 0.36 0.3508
Onchocerca volvulus 0.0458 0.5943 0.8264
Onchocerca volvulus Tyrosine kinase homolog 0.0549 0.7192 1
Brugia malayi hypothetical protein 0.0036 0.0132 0.0132
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 0.1956 0.1956
Echinococcus multilocularis Immunoglobulin 0.0036 0.0132 0.0132
Plasmodium vivax hypothetical protein, conserved 0.0288 0.36 0.3588
Echinococcus granulosus glycine receptor subunit alpha 1 0.0049 0.0312 0.0312
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.015 0.0418
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0668 0.8822 0.8805
Loa Loa (eye worm) hypothetical protein 0.0057 0.0421 0.0421
Echinococcus granulosus neuroglian 0.0045 0.0259 0.0259
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.1323 0.0554
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Brugia malayi FAD binding domain containing protein 0.0465 0.6035 0.6035
Schistosoma mansoni cytochrome B5 0.0086 0.0814 0.0814
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0213 0.0194
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0049 0.0312 0.0312
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0342 0.4335 0.4335
Onchocerca volvulus 0.0049 0.0312 0.0434
Loa Loa (eye worm) hypothetical protein 0.0036 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0086 0.0814 0.0674
Leishmania major NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.0178 0.0178
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.1598 0.1598
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0753 1 1
Brugia malayi glutaminase DH11.1 0.0283 0.3529 0.3529
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0086 0.0814 0.0674
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0049 0.0312 0.0312
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0049 0.0312 0.0312
Entamoeba histolytica type A flavoprotein, putative 0.0288 0.36 1
Brugia malayi diaphorase 0.0086 0.0814 0.0814
Echinococcus granulosus twitchin 0.0045 0.0259 0.0259
Schistosoma mansoni diflavin oxidoreductase 0.0374 0.4778 0.4778
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.015 0.015
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.015 0.0008
Echinococcus granulosus cytochrome b5 reductase 4 0.0086 0.0814 0.0814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0049 0.0312 0.0312
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0753 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0123 0.1323 0.119
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0287 0.0287
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0049 0.0312 0.0312
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.015 0.0275
Brugia malayi FAD binding domain containing protein 0.0753 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0036 0.0132 0.0132
Schistosoma mansoni cell adhesion molecule 0.0048 0.0294 0.0294
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0086 0.0814 0.0814
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0049 0.0312 0.0312
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0213 0.0213
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0634 0.0634
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0119 0.1273 0.1273
Loa Loa (eye worm) hypothetical protein 0.0057 0.0421 0.0421
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Brugia malayi Protein kinase domain containing protein 0.0268 0.3323 0.3323
Loa Loa (eye worm) hypothetical protein 0.0034 0.0106 0.0106
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0086 0.0814 0.1669
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0049 0.0312 0.0312
Brugia malayi excitatory GABA receptor EXP-1A 0.0049 0.0312 0.0312
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0049 0.0312 0.0312
Echinococcus multilocularis neuropeptide receptor A26 0.0502 0.654 0.654
Leishmania major oxidoreductase-like protein 0.0086 0.0814 0.0674
Echinococcus multilocularis geminin 0.0167 0.193 0.193
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0288 0.36 0.3508
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0049 0.0312 0.0312
Schistosoma mansoni alpha-glucosidase 0.0145 0.1633 0.1633
Plasmodium falciparum NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0796
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0049 0.0312 0.0312
Schistosoma mansoni tyrosine kinase 0.0265 0.328 0.328
Brugia malayi Cation transporter family protein 0.0049 0.0312 0.0312
Plasmodium vivax flavodoxin domain containing protein 0.0668 0.8822 0.8819
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0049 0.0312 0.0312
Trypanosoma cruzi nitrate reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) glutaminase 2 0.0283 0.3529 0.3529
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0288 0.36 0.3508
Brugia malayi jmjC domain containing protein 0.0034 0.01 0.01
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0049 0.0312 0.0312
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.01 0.01
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0091 0.0893 0.0893
Brugia malayi Fibronectin type III domain containing protein 0.0036 0.0132 0.0132
Leishmania major p450 reductase, putative 0.0753 1 1
Echinococcus multilocularis neuroglian 0.0045 0.0259 0.0259
Loa Loa (eye worm) ACC-1 protein 0.0049 0.0312 0.0312
Schistosoma mansoni nAChR subunit 0.0049 0.0312 0.0312
Schistosoma mansoni aldehyde dehydrogenase 0.0123 0.1323 0.1323
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0049 0.0312 0.0312
Brugia malayi hypothetical protein 0.0458 0.5943 0.5943
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Entamoeba histolytica type A flavoprotein, putative 0.0288 0.36 1
Plasmodium falciparum ferredoxin--NADP reductase 0.0086 0.0814 0.0796
Brugia malayi Immunoglobulin I-set domain containing protein 0.0588 0.7724 0.7724
Echinococcus granulosus microtubule associated protein 2 0.0714 0.9463 0.9463
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.015 0.0008
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0213 0.0072
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0288 0.36 0.3502
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0036 0.0132 0.0132
Echinococcus multilocularis cytochrome b5 reductase 4 0.0086 0.0814 0.0814
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0086 0.0814 0.1669
Loa Loa (eye worm) hypothetical protein 0.0753 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.01 0.01
Echinococcus granulosus jumonji domain containing protein 0.0039 0.017 0.017
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) flavodoxin family protein 0.0288 0.36 0.36
Echinococcus granulosus peregrin 0.0031 0.0067 0.0067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0287 0.0287
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0465 0.6035 0.6035
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0049 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Onchocerca volvulus 0.0049 0.0312 0.0434
Loa Loa (eye worm) hypothetical protein 0.0342 0.4335 0.4335
Schistosoma mansoni alpha-glucosidase 0.0145 0.1633 0.1633
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Brugia malayi Cation transporter family protein 0.0049 0.0312 0.0312
Plasmodium falciparum nitric oxide synthase, putative 0.0753 1 1
Onchocerca volvulus 0.0536 0.7005 0.974
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0049 0.0312 0.0312
Loa Loa (eye worm) glutaminase 0.0283 0.3529 0.3529
Trypanosoma brucei NADH-dependent fumarate reductase 0.0086 0.0814 0.0674
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0165 0.0165
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0019 0.0019
Toxoplasma gondii flavodoxin domain-containing protein 0.0374 0.4778 1
Leishmania major NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0049 0.0312 0.0312
Echinococcus granulosus defective proboscis extension response 0.0036 0.0132 0.0132
Onchocerca volvulus 0.0049 0.0312 0.0434
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0288 0.36 0.3508
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.1598 0.1598
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0753 1 1
Echinococcus multilocularis protein tyrosine kinase 0.0265 0.328 0.328
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Giardia lamblia Hypothetical protein 0.0668 0.8822 1
Schistosoma mansoni vesicular amine transporter 0.0039 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) hypothetical protein 0.0036 0.0132 0.0132
Schistosoma mansoni nAChR subunit 0.0049 0.0312 0.0312
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0049 0.0312 0.0312
Schistosoma mansoni nAChR subunit 0.0049 0.0312 0.0312
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0049 0.0312 0.0312
Echinococcus granulosus glycine receptor subunit alpha 1 0.0049 0.0312 0.0312
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.015 0.015
Loa Loa (eye worm) diaphorase 0.0086 0.0814 0.0814
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0049 0.0312 0.0312
Echinococcus granulosus nAChR subunit 0.0049 0.0312 0.0312
Trypanosoma cruzi p450 reductase, putative 0.0753 1 1
Loa Loa (eye worm) LGC-31 protein 0.0049 0.0312 0.0312
Schistosoma mansoni nephrin 0.0045 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0468 0.6074 0.6074
Toxoplasma gondii aldehyde dehydrogenase 0.0123 0.1323 0.2738
Onchocerca volvulus 0.0086 0.0814 0.1132
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.1956 0.1956
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0049 0.0312 0.0312
Loa Loa (eye worm) FAD binding domain-containing protein 0.0465 0.6035 0.6035
Echinococcus granulosus methionine synthase reductase 0.0465 0.6035 0.6035
Schistosoma mansoni nAChR subunit 0.0049 0.0312 0.0312
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0049 0.0312 0.0312
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0165 0.0146
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.0178 0.0178
Mycobacterium ulcerans glutaminase 0.0283 0.3529 0.2955
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0287 0.0287
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0123 0.1323 0.1323
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0049 0.0312 0.0312
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0753 1 1
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) runx1 0.0058 0.0427 0.0427
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0049 0.0312 0.0312
Echinococcus granulosus glycine receptor subunit beta 0.0049 0.0312 0.0312
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0588 0.7724 0.7724
Schistosoma mansoni hypothetical protein 0.0167 0.193 0.193
Trypanosoma cruzi p450 reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0036 0.0132 0.0132
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0227 0.0227
Trypanosoma cruzi reductase, putative 0.0086 0.0814 0.0674
Echinococcus granulosus glycine receptor subunit alpha 1 0.0049 0.0312 0.0312
Leishmania major NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Echinococcus multilocularis Immunoglobulin 0.0036 0.0132 0.0132
Onchocerca volvulus Huntingtin homolog 0.0123 0.1332 0.1852
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.1323 0.0554
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.015 0.015
Echinococcus multilocularis glycine receptor subunit beta 0.0049 0.0312 0.0312
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0342 0.4335 0.4335
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0049 0.0312 0.0312
Leishmania major cytochrome-b5 reductase, putative 0.0086 0.0814 0.0674
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0227 0.0227
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0288 0.36 0.3502
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0086 0.0814 0.0814
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.015 0.0418
Trichomonas vaginalis sulfite reductase, putative 0.0753 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0213 0.0406
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0753 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0049 0.0312 0.0312
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0049 0.0312 0.0312
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0119 0.1273 0.1273
Plasmodium vivax ferredoxin--NADP reductase, putative 0.0086 0.0814 0.0796
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) hypothetical protein 0.0123 0.1332 0.1332
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.9463 0.9463
Loa Loa (eye worm) FAD binding domain-containing protein 0.0753 1 1
Echinococcus granulosus roundabout 2 0.0057 0.0421 0.0421
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.01 0.01
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0049 0.0312 0.0312
Echinococcus multilocularis glycine receptor subunit beta 0.0049 0.0312 0.0312
Echinococcus multilocularis roundabout 2 0.0057 0.0421 0.0421
Echinococcus multilocularis peregrin 0.0031 0.0067 0.0067
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Echinococcus granulosus geminin 0.0167 0.193 0.193
Leishmania major NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0049 0.0312 0.0312
Loa Loa (eye worm) ACC-1 protein 0.0049 0.0312 0.0312
Trypanosoma brucei NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Schistosoma mansoni cytochrome P450 reductase 0.0753 1 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0049 0.0312 0.0312
Trypanosoma brucei oxidoreductase-protein, putative 0.0086 0.0814 0.0674
Brugia malayi Immunoglobulin I-set domain containing protein 0.0036 0.0132 0.0132
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0753 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 0.1956 0.1956
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.1543 0.1543
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 0.1956 0.1956
Schistosoma mansoni lozenge 0.0058 0.0427 0.0427
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0753 1 1
Onchocerca volvulus Huntingtin homolog 0.0123 0.1332 0.1852
Loa Loa (eye worm) hypothetical protein 0.0119 0.1273 0.1273
Loa Loa (eye worm) hypothetical protein 0.0028 0.0019 0.0019
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Schistosoma mansoni hypothetical protein 0.0167 0.193 0.193
Schistosoma mansoni aldehyde dehydrogenase 0.0123 0.1323 0.1323
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.015 0.0008
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0342 0.4335 0.4335
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0288 0.36 0.3588
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.015 0.0008
Loa Loa (eye worm) hypothetical protein 0.0119 0.1273 0.1273
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0753 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0753 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.015 0.0008
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0049 0.0312 0.0312
Echinococcus granulosus protein tyrosine kinase 0.0265 0.328 0.328
Toxoplasma gondii flavodoxin domain-containing protein 0.0374 0.4778 1
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.017 0.017
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.9463 0.9463
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.1598 0.1598
Brugia malayi Cation transporter family protein 0.0119 0.1273 0.1273
Loa Loa (eye worm) hypothetical protein 0.0458 0.5943 0.5943
Echinococcus multilocularis methionine synthase reductase 0.0465 0.6035 0.6035
Onchocerca volvulus 0.0119 0.1273 0.1769
Trichomonas vaginalis glutaminase, putative 0.0283 0.3529 0.3435
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.0178 0.0178
Schistosoma mansoni alpha glucosidase 0.0037 0.015 0.015
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0049 0.0312 0.0312
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0049 0.0312 0.0312
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0049 0.0312 0.0312
Onchocerca volvulus Alhambra homolog 0.0028 0.0019 0.0027
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0049 0.0312 0.0312
Echinococcus granulosus Immunoglobulin 0.0036 0.0132 0.0132
Giardia lamblia Flavohemoprotein lateral transfer candidate 0.0086 0.0814 0.0902
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0428 0.0428
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0049 0.0312 0.0312
Brugia malayi PHD-finger family protein 0.0028 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0048 0.0294 0.0294
Onchocerca volvulus 0.0119 0.1273 0.1769
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0287 0.0287
Echinococcus granulosus neuropeptide s receptor 0.0502 0.654 0.654
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Plasmodium vivax oxidoreductase NAD-binding domain containing protein 0.0086 0.0814 0.0796
Onchocerca volvulus Putative nachr subunit 0.0049 0.0312 0.0434
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0753 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0019 0.0019
Leishmania major hypothetical protein, conserved 0.0288 0.36 0.3502
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Echinococcus multilocularis Protein lozenge 0.0058 0.0427 0.0427
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0288 0.36 0.3588
Leishmania major NADH-dependent fumarate reductase-like protein 0.0086 0.0814 0.0674
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0049 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0458 0.5943 0.5943
Trypanosoma cruzi NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.015 0.015
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0213 0.0406
Loa Loa (eye worm) hypothetical protein 0.0036 0.0132 0.0132
Brugia malayi flavodoxin family protein 0.0288 0.36 0.36
Loa Loa (eye worm) hypothetical protein 0.0096 0.096 0.096
Echinococcus granulosus neuropeptide receptor A26 0.0502 0.654 0.654
Echinococcus granulosus cytochrome b5 reductase 4 0.0086 0.0814 0.0814
Trypanosoma cruzi NADH-dependent fumarate reductase, putative 0.0086 0.0814 0.0674
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0753 1 1
Brugia malayi hypothetical protein 0.0123 0.1332 0.1332
Leishmania major reductase, putative 0.0086 0.0814 0.0674
Echinococcus granulosus glycine receptor subunit beta 0.0049 0.0312 0.0312
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.01 0.01
Trypanosoma cruzi cytochrome-b5 reductase, putative 0.0086 0.0814 0.0674
Trypanosoma cruzi oxidoreductase-protein, putative 0.0086 0.0814 0.0674
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0086 0.0814 0.0814
Entamoeba histolytica type A flavoprotein, putative 0.0288 0.36 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0753 1 1
Loa Loa (eye worm) acetyltransferase 0.0143 0.1598 0.1598
Schistosoma mansoni nAChR subunit 0.0049 0.0312 0.0312
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0049 0.0312 0.0312
Giardia lamblia Nitric oxide synthase, inducible 0.0668 0.8822 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.038 0.4857 0.4857
Loa Loa (eye worm) hypothetical protein 0.0468 0.6074 0.6074
Onchocerca volvulus 0.0098 0.0977 0.1359
Entamoeba histolytica type A flavoprotein, putative 0.0288 0.36 1
Onchocerca volvulus 0.0119 0.1273 0.1769
Trypanosoma brucei NADH-cytochrome b5 reductase, putative 0.0086 0.0814 0.0674
Leishmania major cytochrome P450 reductase, putative 0.0668 0.8822 0.8804
Loa Loa (eye worm) TK/FAK protein kinase 0.0268 0.3323 0.3323
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0049 0.0312 0.0312
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0049 0.0312 0.0312
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.015 0.0008
Brugia malayi Glycosyl hydrolases family 31 protein 0.0169 0.1956 0.1956
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0049 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0049 0.0312 0.0312
Trypanosoma brucei NADH-cytochrome b5 reductase-like protein 0.0086 0.0814 0.0674
Trypanosoma brucei nitrate reductase, putative 0.0086 0.0814 0.0674
Echinococcus multilocularis nAChR subunit 0.0049 0.0312 0.0312
Chlamydia trachomatis sulfite reductase 0.0465 0.6035 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0091 0.0893 0.0893
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0165 0.0457
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0123 0.1323 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0019 0.0019
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.1323 0.0554

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.18 nM Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells ChEMBL. 16854083
IC50 (binding) = 0.41 nM Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells ChEMBL. 16854083

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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