Detailed information for compound 1208457

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 613.105 | Formula: C27H37ClF4N2O5S
  • H donors: 0 H acceptors: 4 LogP: 6.91 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCN([C@H]1CCc2c(C1)c(ccc2F)OS(=O)(=O)C(F)(F)F)CCCCN1C(=O)CC2(CC1=O)CCCC2.Cl
  • InChi: 1S/C27H36F4N2O5S.ClH/c1-2-13-32(14-5-6-15-33-24(34)17-26(18-25(33)35)11-3-4-12-26)19-7-8-20-21(16-19)23(10-9-22(20)28)38-39(36,37)27(29,30)31;/h9-10,19H,2-8,11-18H2,1H3;1H/t19-;/m0./s1
  • InChiKey: LAKIXXTVPISXQR-FYZYNONXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0068 0.0066
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0037 0.0036 0.0036
Echinococcus granulosus AMP deaminase 2 0.2172 0.4642 0.4642
Mycobacterium ulcerans adenosine deaminase 0.4655 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0052 0.0067 0.0067
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis serotonin receptor 0.0199 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Trypanosoma brucei AMP deaminase, putative 0.2172 0.4642 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0113 0.0201 0.0165
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0091 0.0091
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0036 0.0035
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni growth hormone secretagogue receptor 0.0052 0.0067 0.0067
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0036 0.0036
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0006 0.0006
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0052 0.0067 0.0067
Leishmania major hypothetical protein, conserved 0.0052 0.0068 0.0066
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0052 0.0067 0.0067
Echinococcus granulosus neuropeptide Y receptor 0.0052 0.0067 0.0067
Echinococcus granulosus allatostatin A receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0052 0.0067 0.0067
Trichomonas vaginalis adenosine deaminase, putative 0.4655 1 1
Schistosoma mansoni adenoreceptor 0.0052 0.0067 0.0067
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0091 0.009
Echinococcus granulosus fmrfamide receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) TYRA-2 protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus granulosus sex peptide receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0095 0.0095
Brugia malayi GnHR receptor homolog 0.0052 0.0067 0.0067
Brugia malayi beta-lactamase 0.0037 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0063 0.0063
Loa Loa (eye worm) neuropeptide F receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis sex peptide receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0079 0.0079
Loa Loa (eye worm) neuropeptide F receptor 0.0052 0.0067 0.0067
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0052 0.0067 0.0067
Echinococcus granulosus G protein coupled receptor 139 0.0052 0.0067 0.0067
Echinococcus multilocularis G-protein coupled receptor, putative 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Echinococcus granulosus microtubule associated protein 2 0.0676 0.1415 0.1415
Loa Loa (eye worm) hypothetical protein 0.1695 0.3612 0.3612
Schistosoma mansoni ap endonuclease 0.0021 0.0002 0.0002
Schistosoma mansoni neuropeptide receptor 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0113 0.0201 0.0199
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0477 0.0985 0.0985
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.4655 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0091 0.009
Onchocerca volvulus 0.0037 0.0036 0.0036
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0052 0.0067 0.0067
Brugia malayi G-protein coupled receptor 0.0052 0.0067 0.0067
Brugia malayi beta-lactamase family protein 0.0037 0.0036 0.0036
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0036 0.0036
Entamoeba histolytica adenosine deaminase, putative 0.4655 1 1
Brugia malayi hypothetical protein 0.0052 0.0068 0.0068
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0113 0.0201 0.0199
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0052 0.0067 0.0067
Echinococcus granulosus g protein coupled receptor 0.0052 0.0067 0.0067
Onchocerca volvulus Neuropeptide F receptor homolog 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Plasmodium vivax glutathione reductase, putative 0.005 0.0063 0.0063
Echinococcus multilocularis serotonin receptor 0.0199 0.0384 0.0384
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0036 0.0075
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.2172 0.4642 0.4641
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0036 0.0035
Echinococcus granulosus dro:myosuppressin receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Conserved protein 0.0037 0.0036 0.0035
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Echinococcus granulosus serotonin receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0063 0.0063
Schistosoma mansoni amine GPCR 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0036 0.0035
Echinococcus multilocularis AMP deaminase 2 0.2172 0.4642 0.4642
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0052 0.0067 0.0067
Echinococcus granulosus neuropeptides capa receptor 0.0052 0.0067 0.0067
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0228 0.0226
Plasmodium falciparum AMP deaminase, putative 0.2172 0.4642 0.4642
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Schistosoma mansoni neuropeptide F-like receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.296 0.6343 0.6343
Mycobacterium ulcerans hypothetical protein 0.0037 0.0036 0.0035
Echinococcus multilocularis neuropeptide receptor A26 0.0052 0.0067 0.0067
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0052 0.0067 0.0067
Plasmodium vivax adenosine deaminase, putative 0.4655 1 1
Schistosoma mansoni hypothetical protein 0.0052 0.0067 0.0067
Echinococcus granulosus 7TM GPCR rhodopsin 0.0052 0.0067 0.0067
Brugia malayi larval opioid receptor 0.0052 0.0067 0.0067
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0095 0.0202
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0228 0.0226
Echinococcus granulosus tm gpcr rhodopsin 0.0052 0.0067 0.0067
Brugia malayi ORL1-like opioid receptor 0.0052 0.0067 0.0067
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni lipoxygenase 0.0057 0.0079 0.0079
Schistosoma mansoni hypothetical protein 0.0023 0.0006 0.0006
Brugia malayi follicle stimulating hormone receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Loa Loa (eye worm) glutathione reductase 0.005 0.0063 0.0063
Onchocerca volvulus 0.0052 0.0067 0.0067
Loa Loa (eye worm) MH2 domain-containing protein 0.0256 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0052 0.0067 0.0067
Toxoplasma gondii thioredoxin reductase 0.005 0.0063 0.0062
Echinococcus granulosus g protein coupled receptor 0.0052 0.0067 0.0067
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0052 0.0067 0.0067
Echinococcus granulosus hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis dro:myosuppressin receptor 0.0052 0.0067 0.0067
Echinococcus granulosus rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Onchocerca volvulus AMP deaminase 2 homolog 0.2172 0.4642 0.4642
Echinococcus multilocularis g protein coupled receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0067 0.0067
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0068 0.0143
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0052 0.0067 0.0067
Loa Loa (eye worm) AMP deaminase 0.2172 0.4642 0.4642
Echinococcus granulosus g-protein coupled receptor 0.0052 0.0067 0.0067
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis neuropeptides capa receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Loa Loa (eye worm) G-protein coupled receptor 0.0052 0.0067 0.0067
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.2172 0.4642 0.4641
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0036 0.0075
Echinococcus granulosus biogenic amine 5HT receptor 0.0052 0.0067 0.0067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0036 0.0036
Echinococcus granulosus rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni amine GPCR 0.0052 0.0067 0.0067
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0838 0.1765 0.1765
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0052 0.0067 0.0067
Echinococcus granulosus neuropeptide s receptor 0.0052 0.0067 0.0067
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0052 0.0067 0.0067
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0095 0.0094
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0037 0.0037
Mycobacterium tuberculosis Conserved protein 0.0037 0.0036 0.0035
Brugia malayi adenosine monophosphate deaminase 0.2172 0.4642 0.4642
Echinococcus multilocularis neuropeptide Y receptor 0.0052 0.0067 0.0067
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0052 0.0067 0.0067
Echinococcus granulosus neuropeptide receptor 0.0052 0.0067 0.0067
Schistosoma mansoni biogenic amine receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis g protein coupled receptor 0.0052 0.0067 0.0067
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0068 0.0143
Echinococcus multilocularis neuropeptide s receptor 0.0052 0.0067 0.0067
Trypanosoma cruzi AMP deaminase, putative 0.2172 0.4642 1
Schistosoma mansoni amine GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Brugia malayi RE15519p 0.0052 0.0067 0.0067
Brugia malayi putative neuropeptide receptor NPR1 0.0052 0.0067 0.0067
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni neuropeptide receptor 0.0052 0.0067 0.0067
Brugia malayi MH2 domain containing protein 0.0256 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis somatostatin receptor 0.0052 0.0067 0.0067
Plasmodium falciparum adenosine deaminase 0.4655 1 1
Trypanosoma brucei AMP deaminase, putative 0.2172 0.4642 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.4655 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.4655 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Brugia malayi hypothetical protein 0.0033 0.0028 0.0028
Trichomonas vaginalis esterase, putative 0.0037 0.0036 0.0035
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0052 0.0067 0.0067
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0052 0.0067 0.0067
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.1415 0.1415
Toxoplasma gondii ABC1 family protein 0.0037 0.0036 0.0035
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0228 0.0192
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni neuropeptide f receptor 76f 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Entamoeba histolytica AMP deaminase, putative 0.2172 0.4642 0.4641
Onchocerca volvulus 0.0037 0.0036 0.0036
Onchocerca volvulus 0.0052 0.0067 0.0067
Brugia malayi Serotonin receptor 0.0052 0.0067 0.0067
Treponema pallidum adenosine deaminase 0.4655 1 1
Brugia malayi Dopamine receptor protein 1 0.0052 0.0067 0.0067
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0036 0.0035
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0037 0.0037
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0063 0.0063
Schistosoma mansoni histamine h1 receptor 0.0052 0.0067 0.0067
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0095 0.0202
Schistosoma mansoni hypothetical protein 0.0052 0.0067 0.0067
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.4655 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0095 0.0095
Brugia malayi neuropeptide F receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0199 0.0384 0.0384
Brugia malayi Thioredoxin reductase 0.005 0.0063 0.0063
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.2172 0.4642 1
Brugia malayi putative neuropeptide receptor 0.0052 0.0067 0.0067
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0091 0.0091
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0006 0.0006
Entamoeba histolytica AMP deaminase, putative 0.2172 0.4642 0.4641
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni neuropeptide receptor 0.0052 0.0067 0.0067
Echinococcus granulosus neuropeptide FF receptor 2 0.0052 0.0067 0.0067
Echinococcus granulosus tm gpcr rhodopsin 0.0052 0.0067 0.0067
Onchocerca volvulus 0.1695 0.3612 0.3612
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0036 0.0035
Brugia malayi Melatonin receptor type 1A 0.0052 0.0067 0.0067
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0063 0.0063
Brugia malayi G protein-coupled receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0199 0.0384 0.0384
Echinococcus granulosus tm gpcr rhodopsin 0.0052 0.0067 0.0067
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable reductase 0.0113 0.0201 0.0199
Echinococcus granulosus neuropeptide receptor A26 0.0052 0.0067 0.0067
Plasmodium falciparum glutathione reductase 0.005 0.0063 0.0063
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0079 0.0079
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0095 0.0095
Echinococcus granulosus neuropeptide Y receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0052 0.0067 0.0067
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0036 0.0035
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0036 0.0036
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0052 0.0067 0.0067
Leishmania major trypanothione reductase 0.005 0.0063 0.0062
Brugia malayi G protein-coupled receptor F59B2.13 0.0052 0.0067 0.0067
Schistosoma mansoni AMP deaminase 0.2172 0.4642 0.4642
Echinococcus granulosus rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0036 0.0035
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0052 0.0067 0.0067
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.2172 0.4642 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0091 0.0091
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0068 0.0068
Echinococcus granulosus orexin receptor type 2 0.0052 0.0067 0.0067
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0068 0.0068
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0068 0.0068
Onchocerca volvulus 0.0052 0.0067 0.0067
Leishmania major AMP deaminase, putative 0.2172 0.4642 0.4641
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.1415 0.1415
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0067 0.0067
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0036 0.0075
Trichomonas vaginalis adenosine deaminase, putative 0.4655 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.296 0.6343 0.6343
Echinococcus multilocularis fmrfamide receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0036 0.0035
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0002 0.0002
Brugia malayi Tachykinin-like peptides receptor 99D 0.0052 0.0067 0.0067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0091 0.009
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0036 0.0035
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0063 0.0062
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0052 0.0067 0.0067
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0063 0.0133
Echinococcus multilocularis neuropeptide receptor 0.0052 0.0067 0.0067
Echinococcus granulosus rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Echinococcus granulosus adenosine deaminase 0.4655 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0091 0.009
Echinococcus multilocularis G protein coupled receptor 139 0.0052 0.0067 0.0067
Echinococcus granulosus 7tm_1 domain containing protein 0.0052 0.0067 0.0067
Trypanosoma cruzi AMP deaminase 2, putative 0.1695 0.3612 0.7782
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis g-protein coupled receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.2172 0.4642 0.4641
Schistosoma mansoni biogenic amine receptor 0.0052 0.0067 0.0067
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0052 0.0067 0.0067
Echinococcus granulosus rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Brugia malayi G-protein coupled receptor 0.0052 0.0067 0.0067
Schistosoma mansoni opsin-like receptor 0.0052 0.0067 0.0067
Plasmodium vivax adenosine/AMP deaminase, putative 0.2172 0.4642 0.4642
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Mycobacterium ulcerans beta-lactamase 0.0037 0.0036 0.0035
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0036 0.0035
Loa Loa (eye worm) transcription factor SMAD2 0.0256 0.0507 0.0507
Entamoeba histolytica adenosine deaminase, putative 0.4655 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0113 0.0201 0.0199
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0052 0.0067 0.0067
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0052 0.0067 0.0067
Echinococcus granulosus neuropeptide receptor 0.0052 0.0067 0.0067
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0095 0.0095
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0036 0.0035
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Trypanosoma cruzi AMP deaminase, putative 0.2172 0.4642 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0068 0.0143
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0052 0.0067 0.0067
Trypanosoma cruzi AMP deaminase, putative 0.2172 0.4642 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0052 0.0067 0.0067
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0036 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0228 0.0226
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0036 0.0036
Schistosoma mansoni biogenic amine (5HT) receptor 0.0199 0.0384 0.0384
Plasmodium falciparum thioredoxin reductase 0.005 0.0063 0.0063
Brugia malayi sulfakinin receptor protein 0.0052 0.0067 0.0067
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0002 0.0002
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Brugia malayi AKH receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0002 0.0002
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0002 0.0002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni biogenic amine receptor 0.0052 0.0067 0.0067
Schistosoma mansoni opsin-like receptor 0.0052 0.0067 0.0067
Brugia malayi hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0035 0.0032 0.0032
Toxoplasma gondii AMP deaminase 0.2172 0.4642 0.4641
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) G-protein coupled receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis neuropeptides capa receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.296 0.6343 0.6343
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Leishmania major hypothetical protein, conserved 0.0037 0.0036 0.0035
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0002 0.5
Mycobacterium tuberculosis Conserved protein 0.0037 0.0036 0.0035
Brugia malayi glutathione reductase 0.005 0.0063 0.0063
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni adenosine deaminase 0.4655 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0052 0.0067 0.0067
Echinococcus granulosus somatostatin receptor 0.0052 0.0067 0.0067
Schistosoma mansoni myosin xvIII 0.0052 0.0067 0.0067
Echinococcus granulosus peptide allatostatin:somatostatin 0.0052 0.0067 0.0067
Schistosoma mansoni alpha-1 adrenergic receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.4655 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0052 0.0067 0.0067
Echinococcus multilocularis g protein coupled receptor 0.0052 0.0067 0.0067
Echinococcus granulosus tachykinin peptides receptor 99D 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Schistosoma mansoni amine GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni opsin-like receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Loa Loa (eye worm) beta-lactamase 0.0037 0.0036 0.0036
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0052 0.0067 0.0067
Leishmania major adenine aminohydrolase 0.4655 1 1
Echinococcus granulosus g protein coupled receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Leishmania major hypothetical protein, conserved 0.1695 0.3612 0.3611
Onchocerca volvulus 0.0052 0.0067 0.0067
Echinococcus granulosus alpha 1A adrenergic receptor 0.0052 0.0067 0.0067
Schistosoma mansoni adenosine deaminase-related 0.4655 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0113 0.0201 0.0199
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0036 0.0035
Brugia malayi beta-lactamase family protein 0.0037 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.296 0.6343 0.6343
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0002 0.5
Echinococcus multilocularis adenosine deaminase 0.4655 1 1
Trypanosoma cruzi AMP deaminase, putative 0.2172 0.4642 1
Echinococcus multilocularis neuropeptide receptor 0.0052 0.0067 0.0067
Mycobacterium tuberculosis Probable dehydrogenase 0.0113 0.0201 0.0199
Echinococcus multilocularis orexin receptor type 2 0.0052 0.0067 0.0067
Schistosoma mansoni neuropeptide receptor 0.0052 0.0067 0.0067
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0002 0.0002
Echinococcus multilocularis neuropeptide Y receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0091 0.009
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0091 0.009
Loa Loa (eye worm) hypothetical protein 0.0035 0.0032 0.0032
Brugia malayi neuropeptide F receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0036
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0095 0.0094
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0095 0.0095
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0238 0.047 0.0469
Brugia malayi Dopamine receptor protein 2 0.0052 0.0067 0.0067
Brugia malayi Dopamine receptor 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.2172 0.4642 1
Schistosoma mansoni amine GPCR 0.0052 0.0067 0.0067
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0052 0.0067 0.0067
Mycobacterium ulcerans lipase LipD 0.0037 0.0036 0.0035
Schistosoma mansoni neuropeptide F-like receptor 0.0052 0.0067 0.0067
Onchocerca volvulus 0.0052 0.0067 0.0067
Loa Loa (eye worm) melatonin receptor type 1A 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Trypanosoma cruzi AMP deaminase, putative 0.2172 0.4642 1
Trypanosoma brucei AMP deaminase, putative 0.2172 0.4642 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0052 0.0067 0.0067
Brugia malayi Serotonin receptor 0.0052 0.0067 0.0067
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0095 0.0202
Echinococcus granulosus rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0091 0.0091
Schistosoma mansoni ap endonuclease 0.0021 0.0002 0.0002
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0036 0.0035
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.4655 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0052 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0052 0.0067 0.0067
Echinococcus granulosus rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Trypanosoma brucei trypanothione reductase 0.005 0.0063 0.0133
Echinococcus multilocularis fmrfamide receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0052 0.0067 0.0067
Echinococcus granulosus biogenic amine 5HT receptor 0.0199 0.0384 0.0384
Echinococcus multilocularis rhodopsin orphan GPCR 0.0052 0.0067 0.0067
Echinococcus multilocularis allatostatin A receptor 0.0052 0.0067 0.0067
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0036 0.0035
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0052 0.0067 0.0067
Echinococcus multilocularis neuropeptide FF receptor 2 0.0052 0.0067 0.0067
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0052 0.0067 0.0067

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 55 % Effect on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 1 uM+ 3 uM 5-HT. ChEMBL. 8831769
Inhibition (functional) = 65 % Effect on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 50 uM ChEMBL. 8831769
Inhibition (functional) = 68 % Effect of the compound on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 0.1 uM + 1 uM 5-HT. ChEMBL. 8831769
Inhibition (functional) = 90 % Effect of the compound on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 1 uM ChEMBL. 8831769
Inhibition (functional) = 98 % Effect on 5-hydroxytryptamine 1A receptor mediated inhibition of VIP-stimulated cAMP production at dose of 0.05 uM ChEMBL. 8831769
Ki (binding) = 177 nM Binding affinity of the compound against rat hippocampal 5-hydroxytryptamine 1A (5-HT1A) receptor determined using [3H]-8-OH-DPAT as radioligand ChEMBL. 8831769

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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