Detailed information for compound 405389

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1754.04 | Formula: C76H120N24O20S2
  • H donors: 25 H acceptors: 20 LogP: -5.81 Rotable bonds: 38
    Rule of 5 violations (Lipinski): 4
  • SMILES: CC[C@@H]([C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)CCCN=C(N)N)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CO)C1CCCCC1)Cc1ccccc1)[C@H](CC)C)C
  • InChi: 1S/C76H120N24O20S2/c1-5-40(3)58-70(116)94-51(33-57(105)106)66(112)90-47(26-17-29-85-75(80)81)64(110)99-59(41(4)6-2)71(117)97-53(68(114)92-50(32-43-21-12-8-13-22-43)65(111)91-48(73(119)120)27-18-30-86-76(82)83)38-121-122-39-54(96-67(113)52(37-102)95-61(107)45(77)36-101)69(115)100-60(44-23-14-9-15-24-44)72(118)93-49(31-42-19-10-7-11-20-42)62(108)88-34-55(103)87-35-56(104)89-46(63(109)98-58)25-16-28-84-74(78)79/h7-8,10-13,19-22,40-41,44-54,58-60,101-102H,5-6,9,14-18,23-39,77H2,1-4H3,(H,87,103)(H,88,108)(H,89,104)(H,90,112)(H,91,111)(H,92,114)(H,93,118)(H,94,116)(H,95,107)(H,96,113)(H,97,117)(H,98,109)(H,99,110)(H,100,115)(H,105,106)(H,119,120)(H4,78,79,84)(H4,80,81,85)(H4,82,83,86)/t40-,41-,45-,46+,47-,48+,49+,50+,51+,52-,53+,54+,58-,59+,60-/m0/s1
  • InChiKey: IXAWAWGQLNVAPC-CLFHZINMSA-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
Echinococcus multilocularis leucine rich repeat containing protein 4 0.0059 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0062 0.0091
Schistosoma mansoni hypothetical protein 0.0059 0.0062 0.0062
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0021 0.5
Giardia lamblia Kinase, CMGC MAPK 0.006 0.0066 0.0066
Loa Loa (eye worm) inositol-1 0.0041 0.0021 0.003
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0104 0.0172 0.0172
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Onchocerca volvulus 0.0046 0.0032 0.005
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0059 0.0062 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0002 0.0002
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0066 0.0046
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0114 0.0194 0.0194
Onchocerca volvulus Peroxidasin homolog 0.0046 0.0032 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0044 0.0044
Schistosoma mansoni netrin receptor unc5 0.0059 0.0062 0.0062
Brugia malayi Fibronectin type III domain containing protein 0.018 0.0351 0.0512
Echinococcus granulosus leucine rich repeats and immunoglobulin 0.0046 0.0032 0.0032
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0046 0.0033 0.0049
Schistosoma mansoni hypothetical protein 0.0059 0.0062 0.0062
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0016 0.0016
Echinococcus multilocularis peroxidasin 0.0104 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0033 0.0033
Echinococcus granulosus Immunoglobulin 0.0059 0.0062 0.0062
Echinococcus multilocularis hemicentin 1 0.0104 0.0172 0.0172
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0066 0.0046
Schistosoma mansoni Neurotrimin precursor (hNT) 0.018 0.0351 0.0351
Echinococcus granulosus Opioid binding protein:cell adhesion molecule 0.0046 0.0032 0.0032
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0104 0.0172 0.0268
Echinococcus granulosus roundabout 2 0.0284 0.0599 0.0599
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0114 0.0194 0.0284
Echinococcus multilocularis hemicentin 1 0.0104 0.0172 0.0172
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Echinococcus granulosus low density lipoprotein receptor ldl 0.0059 0.0062 0.0062
Schistosoma mansoni subfamily M23B non-peptidase homologue (M23 family) 0.0046 0.0032 0.0032
Brugia malayi hypothetical protein 0.0262 0.0548 0.08
Echinococcus multilocularis Immunoglobulin 0.0059 0.0062 0.0062
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0142 0.0261 0.0381
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0028 0.0041
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.006 0.0066 0.0046
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0002 0.0002
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0142 0.0261 0.0381
Schistosoma mansoni inositol monophosphatase 0.0041 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Schistosoma mansoni titin 0.0046 0.0032 0.0032
Schistosoma mansoni roundabout 0.0104 0.0172 0.0172
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0002 0.0002
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0104 0.0172 0.0172
Trypanosoma brucei protein kinase, putative 0.006 0.0066 0.0046
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Loa Loa (eye worm) hypothetical protein 0.0059 0.0062 0.0091
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.0062 0.0091
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.0172 0.025
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Onchocerca volvulus Tyrosine kinase homolog 0.2716 0.6395 1
Loa Loa (eye worm) CAMK protein kinase 0.0046 0.0033 0.0049
Echinococcus granulosus neuroglian 0.0225 0.046 0.046
Onchocerca volvulus 0.0046 0.0032 0.005
Echinococcus granulosus defective proboscis extension response 0.018 0.0351 0.0351
Schistosoma mansoni tyrosine kinase 0.0112 0.0189 0.0189
Brugia malayi Immunoglobulin domain containing protein 0.0059 0.0062 0.0091
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0044 0.0044
Brugia malayi Immunoglobulin I-set domain containing protein 0.018 0.0351 0.0512
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0033 0.0033
Echinococcus multilocularis Immunoglobulin 0.018 0.0351 0.0351
Brugia malayi Pre-SET motif family protein 0.0033 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0046 0.0032 0.0032
Loa Loa (eye worm) animal heme peroxidase 0.0046 0.0032 0.0047
Onchocerca volvulus 0.0046 0.0032 0.005
Echinococcus multilocularis leucine rich repeats and immunoglobulin 0.0046 0.0032 0.0032
Schistosoma mansoni cell adhesion molecule 0.0104 0.0172 0.0172
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0053 0.0049 0.0049
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0142 0.0261 0.0261
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Echinococcus multilocularis mitogen activated protein kinase 3 0.006 0.0066 0.0066
Echinococcus granulosus twitchin 0.0226 0.0461 0.0461
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Loa Loa (eye worm) hypothetical protein 0.018 0.0351 0.0512
Echinococcus granulosus 3'partial|cell adhesion molecule:down regulated by 0.0059 0.0062 0.0062
Echinococcus granulosus roundabout 2 0.0104 0.0172 0.0172
Echinococcus multilocularis cell adhesion molecule:down regulated by 0.0059 0.0062 0.0062
Toxoplasma gondii hypothetical protein 0.0084 0.0124 1
Schistosoma mansoni hypothetical protein 0.0046 0.0032 0.0032
Loa Loa (eye worm) one IG domain family member 0.0046 0.0032 0.0047
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Echinococcus multilocularis mitogen activated protein kinase 0.006 0.0066 0.0066
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Loa Loa (eye worm) DEAH box polypeptide 35 0.0038 0.0014 0.002
Echinococcus granulosus roundabout 2 0.0104 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Brugia malayi Animal haem peroxidase family protein 0.0046 0.0032 0.0047
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0044 0.0044
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.0062 0.0091
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0046 0.0032 0.0032
Brugia malayi Immunoglobulin domain containing protein 0.0059 0.0062 0.0091
Echinococcus multilocularis Immunoglobulin 0.0059 0.0062 0.0062
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0082 0.012
Echinococcus granulosus pro neuregulin 2 membrane bound 0.0059 0.0062 0.0062
Schistosoma mansoni cell adhesion molecule 0.0046 0.0032 0.0032
Schistosoma mansoni titin 0.0046 0.0033 0.0033
Echinococcus multilocularis neuroglian 0.0225 0.046 0.046
Onchocerca volvulus Netrin receptor homolog 0.0046 0.0032 0.005
Onchocerca volvulus Peroxidasin homolog 0.0046 0.0032 0.005
Echinococcus granulosus neuroglian 0.0104 0.0172 0.0172
Echinococcus multilocularis basement membrane specific heparan sulfate 0.018 0.0351 0.0351
Onchocerca volvulus 0.0046 0.0032 0.005
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0059 0.0062 0.0091
Onchocerca volvulus 0.0054 0.005 0.0079
Loa Loa (eye worm) hypothetical protein 0.018 0.0351 0.0512
Schistosoma mansoni neuroglian 0.0104 0.0172 0.0172
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.4228 1 1
Schistosoma mansoni basigin related 0.0059 0.0062 0.0062
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.003 0.003
Brugia malayi Wrapper/rega-1/klingon homolog protein 1 0.0046 0.0032 0.0047
Entamoeba histolytica DNA repair and recombination protein, putative 0.4228 1 1
Brugia malayi Prion-like- 0.0046 0.0032 0.0047
Onchocerca volvulus 0.0046 0.0032 0.005
Echinococcus granulosus jumonji domain containing protein 0.0045 0.003 0.003
Echinococcus granulosus basement membrane specific heparan sulfate 0.0059 0.0062 0.0062
Echinococcus granulosus mitogen activated protein kinase 0.006 0.0066 0.0066
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0114 0.0194 1
Echinococcus multilocularis roundabout 2 0.0104 0.0172 0.0172
Echinococcus granulosus titin 0.0046 0.0032 0.0032
Brugia malayi Cytochrome P450 family protein 0.0044 0.0028 0.0041
Schistosoma mansoni basigin related 0.0059 0.0062 0.0062
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0002 0.0002
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.0062 0.0091
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.006 0.0066 0.0046
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Echinococcus multilocularis pro neuregulin 2, membrane bound 0.0059 0.0062 0.0062
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0104 0.0172 0.0172
Schistosoma mansoni septate junction protein 0.0059 0.0062 0.0062
Brugia malayi follicle stimulating hormone receptor 0.0224 0.0458 0.0668
Loa Loa (eye worm) hypothetical protein 0.018 0.0351 0.0512
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.002
Brugia malayi Heparan sulfate 0.0059 0.0062 0.0091
Loa Loa (eye worm) hypothetical protein 0.0114 0.0194 0.0284
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0021 0.5
Schistosoma mansoni cell adhesion molecule 0.0046 0.0032 0.0032
Onchocerca volvulus 0.0046 0.0033 0.0052
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0016 0.0016
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.0175 0.0175
Echinococcus granulosus mitogen activated protein kinase 3 0.006 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) hypothetical protein 0.018 0.0351 0.0512
Echinococcus granulosus Immunoglobulin subtype 0.0059 0.0062 0.0062
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0002 0.0002
Echinococcus multilocularis transfer RNA-Phe 0.0046 0.0032 0.0032
Schistosoma mansoni titin 0.0046 0.0032 0.0032
Loa Loa (eye worm) LAD-2 short isoform 0.0059 0.0062 0.0091
Echinococcus multilocularis Opioid binding protein:cell adhesion molecule 0.0046 0.0032 0.0032
Schistosoma mansoni nephrin 0.0225 0.046 0.046
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.4228 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0114 0.0194 0.0174
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0105 0.0173 0.0252
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.001 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0044 0.0064
Schistosoma mansoni titin 0.0046 0.0032 0.0032
Schistosoma mansoni titin 0.0046 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.006 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0059 0.0062 0.0091
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Brugia malayi MAP kinase sur-1 0.006 0.0066 0.0097
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0104 0.0172 0.0172
Loa Loa (eye worm) disorganized muscle protein 1 0.0046 0.0032 0.0047
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0066 0.0046
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.0172 0.025
Brugia malayi Prion-like- 0.0046 0.0032 0.0047
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4228 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Schistosoma mansoni basigin related 0.0059 0.0062 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0044 0.0044
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0114 0.0194 0.0194
Schistosoma mansoni cell adhesion molecule 0.0104 0.0172 0.0172
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0124 0.0124
Echinococcus multilocularis titin 0.0046 0.0033 0.0033
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4228 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.2908 0.6853 1
Brugia malayi hypothetical protein 0.018 0.0351 0.0512
Brugia malayi Inositol-1 0.0041 0.0021 0.003
Echinococcus multilocularis titin 0.0046 0.0032 0.0032
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4228 1 1
Brugia malayi hypothetical protein 0.0059 0.0062 0.0091
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Plasmodium vivax SET domain protein, putative 0.0033 0.0002 0.0095
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0016 0.0024
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0114 0.0194 1
Schistosoma mansoni vesicular amine transporter 0.018 0.0351 0.0351
Echinococcus multilocularis roundabout 2 0.0284 0.0599 0.0599
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Brugia malayi Immunoglobulin domain containing protein 0.0059 0.0062 0.0091
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Echinococcus multilocularis 0.0046 0.0032 0.0032
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.0548 0.0548
Schistosoma mansoni cell adhesion molecule 0.0104 0.0172 0.0172
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Schistosoma mansoni peroxidasin 0.0059 0.0062 0.0062
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0021 0.0021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0044 0.0044
Schistosoma mansoni hypothetical protein 0.0046 0.0032 0.0032
Echinococcus granulosus titin 0.0046 0.0032 0.0032
Loa Loa (eye worm) TK/ROR protein kinase 0.0053 0.0049 0.0072
Loa Loa (eye worm) hypothetical protein 0.0055 0.0055 0.008
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) TK protein kinase 0.0053 0.0049 0.0072
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.0458 0.0668
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0142 0.0261 0.0241
Brugia malayi basement membrane proteoglycan 0.0059 0.0062 0.0091
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0059 0.0062 0.0062
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.006 0.0066 0.5358
Loa Loa (eye worm) hypothetical protein 0.0059 0.0062 0.0091
Schistosoma mansoni survival motor neuron protein 0.0054 0.005 0.005
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0059 0.0062 0.0062
Echinococcus granulosus insulin growth factor binding 0.0046 0.0032 0.0032
Echinococcus granulosus pro neuregulin 2 membrane bound 0.0046 0.0032 0.0032
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0114 0.0194 0.0284
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.005 0.0074
Schistosoma mansoni slit 0.0046 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0002 0.0149
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0002 0.0002
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0114 0.0194 0.0174
Onchocerca volvulus 0.0263 0.0549 0.0859
Echinococcus multilocularis insulin growth factor binding 0.0046 0.0032 0.0032
Brugia malayi Leucine Rich Repeat family protein 0.0046 0.0032 0.0047
Schistosoma mansoni cell adhesion molecule 0.0238 0.049 0.049
Brugia malayi kettin 0.0046 0.0032 0.0047
Onchocerca volvulus 0.2663 0.6269 0.9802
Schistosoma mansoni septate junction protein 0.0059 0.0062 0.0062
Schistosoma mansoni nephrin related 0.0059 0.0062 0.0062
Schistosoma mansoni titin 0.0046 0.0032 0.0032
Echinococcus multilocularis neuroglian 0.0104 0.0172 0.0172
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0142 0.0261 0.0261
Echinococcus granulosus titin 0.0046 0.0033 0.0033
Schistosoma mansoni netrin receptor unc5 0.0059 0.0062 0.0062
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Brugia malayi jmjC domain containing protein 0.0039 0.0016 0.0024
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0104 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0284 0.0599 0.0875
Brugia malayi Disorganized muscle protein 1 0.0046 0.0032 0.0047
Onchocerca volvulus 0.0046 0.0032 0.005
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0059 0.0062 0.0062
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0044 0.0044
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0084 0.0124 0.0104
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.0172 0.025
Brugia malayi Myb-like DNA-binding domain containing protein 0.0046 0.0032 0.0047
Schistosoma mansoni cell adhesion molecule 0.0059 0.0062 0.0062
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0016 0.0016
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0059 0.0062 0.0062
Schistosoma mansoni cell adhesion molecule 0.0046 0.0032 0.0032
Echinococcus granulosus titin 0.0046 0.0032 0.0032
Echinococcus multilocularis roundabout 2 0.0104 0.0172 0.0172
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0059 0.0062 0.0062
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Echinococcus granulosus lachesin 0.0104 0.0172 0.0172
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Echinococcus granulosus peroxidasin 0.0104 0.0172 0.0172
Echinococcus granulosus contactin 0.0104 0.0172 0.0172
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.006 0.0066 0.0046
Onchocerca volvulus 0.0033 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.0059 0.0062 0.0091
Echinococcus granulosus titin 0.0046 0.0033 0.0033
Brugia malayi basement membrane proteoglycan precursor 0.0059 0.0062 0.0091
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0021 0.166
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0059 0.0062 0.0062
Echinococcus multilocularis lachesin 0.0104 0.0172 0.0172
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.001 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.4228 1 1
Echinococcus multilocularis low density lipoprotein receptor (ldl) 0.0059 0.0062 0.0062
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0142 0.0261 0.0241
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.0473 0.0691
Brugia malayi jmjC domain containing protein 0.0106 0.0175 0.0256
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.4228 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0044 0.0064
Trichomonas vaginalis set domain proteins, putative 0.0263 0.0549 0.053
Loa Loa (eye worm) hypothetical protein 0.0104 0.0172 0.025
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.006 0.0066 0.0097
Brugia malayi Pre-SET motif family protein 0.0231 0.0473 0.0691
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.006 0.0066 0.0046
Schistosoma mansoni hypothetical protein 0.0059 0.0062 0.0062
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4228 1 1
Onchocerca volvulus Putative titin 0.0046 0.0032 0.005
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.0062 0.0091
Brugia malayi protein unc-22 0.0046 0.0033 0.0049
Echinococcus multilocularis down syndrome cell adhesion 0.0046 0.0032 0.0032
Schistosoma mansoni hypothetical protein 0.0046 0.0032 0.0032
Echinococcus multilocularis Immunoglobulin 0.018 0.0351 0.0351
Brugia malayi Prion-like- 0.0046 0.0032 0.0047
Loa Loa (eye worm) projectin 0.0046 0.0032 0.0047
Schistosoma mansoni hypothetical protein 0.0046 0.0032 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0044 0.0044
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Schistosoma mansoni nephrin related 0.0046 0.0032 0.0032
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0066 0.0046
Schistosoma mansoni hemicentin 0.0046 0.0032 0.0032
Echinococcus granulosus down syndrome cell adhesion 0.0046 0.0032 0.0032
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0114 0.0194 0.0194
Giardia lamblia Rrm3p helicase 0.4228 1 1
Echinococcus multilocularis titin 0.0046 0.0032 0.0032
Echinococcus multilocularis pro neuregulin 2, membrane bound 0.0046 0.0032 0.0032
Schistosoma mansoni nephrin 0.0104 0.0172 0.0172
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0059 0.0062 0.0062
Brugia malayi Peroxidasin 0.0104 0.0172 0.025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0046 0.0032 0.0032
Brugia malayi Immunoglobulin I-set domain containing protein 0.0059 0.0062 0.0091
Echinococcus multilocularis tyrosine protein kinase otk 0.0104 0.0172 0.0172
Loa Loa (eye worm) TK/KIN16 protein kinase 0.2908 0.6853 1
Schistosoma mansoni titin 0.0104 0.0172 0.0172
Echinococcus multilocularis titin 0.0046 0.0032 0.0032
Schistosoma mansoni cell adhesion molecule 0.0059 0.0062 0.0062
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.006 0.0066 0.0046
Echinococcus granulosus tyrosine protein kinase otk 0.0104 0.0172 0.0172
Onchocerca volvulus 0.0046 0.0032 0.005
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0033 0.0049
Schistosoma mansoni myosin-binding protein-related 0.0046 0.0032 0.0032
Giardia lamblia Rab geranylgeranyltransferase 0.0114 0.0194 0.0194
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0114 0.0194 0.0174
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0104 0.0172 0.0172
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Brugia malayi Probable ATP-dependent helicase DHX35 0.0038 0.0014 0.002
Schistosoma mansoni septate junction protein 0.0104 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.4228 1 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0172 0.025
Loa Loa (eye worm) hypothetical protein 0.0262 0.0548 0.08
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0032 0.0047
Echinococcus multilocularis twitchin 0.0046 0.0033 0.0033
Onchocerca volvulus 0.0046 0.0032 0.005
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Echinococcus granulosus hemicentin 1 0.0104 0.0172 0.0172
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0021 0.0021
Schistosoma mansoni inositol monophosphatase 0.0041 0.0021 0.0021
Loa Loa (eye worm) immunoglobulin domain-containing protein 0.0059 0.0062 0.0091
Schistosoma mansoni hypothetical protein 0.0046 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.018 0.0351 0.0512
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0238 0.049 0.049
Brugia malayi Prion-like- 0.0104 0.0172 0.025
Echinococcus granulosus Immunoglobulin 0.0059 0.0062 0.0062
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0053 0.0049 0.0049
Onchocerca volvulus 0.0046 0.0032 0.005
Echinococcus granulosus netrin receptor unc 5 0.0059 0.0062 0.0062
Entamoeba histolytica hypothetical protein, conserved 0.4228 1 1
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0142 0.0261 0.0261
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0046 0.0032 0.0047
Trichomonas vaginalis CMGC family protein kinase 0.006 0.0066 0.0046
Echinococcus multilocularis netrin receptor unc 5 0.0059 0.0062 0.0062
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.018 0.0351 0.0351
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0114 0.0194 0.0174
Echinococcus granulosus nephrin 0.0046 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.018 0.0351 0.0512
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0104 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0059 0.0062 0.0062
Echinococcus multilocularis Immunoglobulin subtype 0.0059 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0059 0.0062 0.0062
Schistosoma mansoni septate junction protein 0.0104 0.0172 0.0172
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0284 0.0599 0.0875
Loa Loa (eye worm) hypothetical protein 0.0238 0.049 0.0715
Trichomonas vaginalis conserved hypothetical protein 0.4228 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0049 0.0072
Schistosoma mansoni titin 0.0046 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0104 0.0172 0.0172
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.0548 0.0548
Schistosoma mansoni hypothetical protein 0.0054 0.005 0.005
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.0175 0.0175
Schistosoma mansoni hypothetical protein 0.0059 0.0062 0.0062
Onchocerca volvulus 0.0046 0.0032 0.005
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.006 0.0066 0.0046
Loa Loa (eye worm) hypothetical protein 0.0033 0.0002 0.0003
Echinococcus granulosus leucine rich repeat containing protein 4 0.0046 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047
Echinococcus granulosus Immunoglobulin 0.018 0.0351 0.0351
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0142 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0046 0.0032 0.0047

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 430 nM Compound was evaluated in vitro for its vasorelaxant potency at dose 10 e -8 to 10 e-4 M using rabbit aortic rings preconstricted with histamine ChEMBL. 1347790
KL (binding) = 180 nM Binding affinity towards the low-affinity site atrionatriuretic peptide receptor 1 of rabbit adrenal membrane ChEMBL. 1347790
KL (binding) = 180 nM Binding affinity towards the low-affinity site atrionatriuretic peptide receptor 1 of rabbit adrenal membrane ChEMBL. 1347790

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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