Detailed information for compound 407993

Basic information

Technical information
  • TDR Targets ID: 407993
  • Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[( 2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-ph enylpropanoyl]amino]acetyl]amino]acetyl]amino ]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl] amino]-3-sulfanylpropanoyl]amino]propanoyl]am ino]-5-(diaminomethylideneamino)pentanoyl]ami no]-N-[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethy lideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan- 2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxoprop an-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]he xanamide
  • MW: 1443.74 | Formula: C62H102N22O14S2
  • H donors: 21 H acceptors: 14 LogP: -5.67 Rotable bonds: 60
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCN=C(N)N)C)CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)CS)C)CCCN=C(N)N
  • InChi: 1S/C62H102N22O14S2/c1-34(51(89)79-42(22-14-26-71-61(67)68)54(92)78-40(50(66)88)20-10-12-24-63)75-58(96)45(32-99)82-56(94)41(21-11-13-25-64)81-55(93)43(23-15-27-72-62(69)70)80-52(90)35(2)76-59(97)46(33-100)83-60(98)49(36(3)85)84-57(95)44(29-38-18-8-5-9-19-38)77-48(87)31-73-47(86)30-74-53(91)39(65)28-37-16-6-4-7-17-37/h4-9,16-19,34-36,39-46,49,85,99-100H,10-15,20-33,63-65H2,1-3H3,(H2,66,88)(H,73,86)(H,74,91)(H,75,96)(H,76,97)(H,77,87)(H,78,92)(H,79,89)(H,80,90)(H,81,93)(H,82,94)(H,83,98)(H,84,95)(H4,67,68,71)(H4,69,70,72)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
  • InChiKey: APYUYQWYKXKSOW-JOEKKRFNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-6-amino-N-[(1R)-2-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]-4-guanidino-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanamide
  • (2S)-6-amino-N-[(1R)-2-[[(1S)-2-[[(1S)-1-[[[(1S)-5-amino-1-carbamoylpentyl]amino]-oxomethyl]-4-guanidinobutyl]amino]-1-methyl-2-oxoethyl]amino]-1-(mercaptomethyl)-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-5-guanidino-1-oxopentyl]amino]hexanamide
  • (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[(2R)-1-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1,6-bis(azanyl)-1-oxo-hexan-2-yl]amino]-1-oxo-pentan-2-yl]amino]-1-oxo-propan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]hexanamide
  • (2S)-6-amino-N-[(1R)-2-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-mercapto-propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opiate receptor-like 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis growth hormone secretagogue receptor type 1 opiate receptor-like 1 370 aa 349 aa 22.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Heat shock protein HSP 90-alpha 0.0032 0.0017 1
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0017 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0775 0.195 0.3707
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Schistosoma mansoni opsin-like receptor 0.0775 0.195 0.3707
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis sodium and chloride dependent glycine 0.0346 0.0834 0.0834
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0346 0.0834 0.1566
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0775 0.195 0.3707
Echinococcus multilocularis neuropeptide receptor 0.0775 0.195 0.195
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Brugia malayi RE15519p 0.0775 0.195 0.3707
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0775 0.195 0.3707
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis neuropeptide receptor 0.0775 0.195 0.195
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0346 0.0834 1
Echinococcus granulosus neuropeptides capa receptor 0.0775 0.195 0.195
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis g protein coupled receptor 0.0775 0.195 0.195
Echinococcus granulosus 7tm_1 domain containing protein 0.0775 0.195 0.195
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0087 0.0087
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0017 1
Brugia malayi ORL1-like opioid receptor 0.0775 0.195 0.3707
Echinococcus granulosus sodium and chloride dependent glycine 0.0346 0.0834 0.0834
Schistosoma mansoni sodium/chloride dependent transporter 0.2037 0.5231 1
Loa Loa (eye worm) G-protein coupled receptor 0.0775 0.195 0.3707
Echinococcus multilocularis serotonin receptor 0.0775 0.195 0.195
Echinococcus granulosus neuropeptide receptor 0.0775 0.195 0.195
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0346 0.0834 0.1566
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis neuropeptide FF receptor 2 0.0775 0.195 0.195
Schistosoma mansoni hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0775 0.195 0.195
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0775 0.195 0.3707
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) neuropeptide F receptor 0.0775 0.195 0.3707
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0346 0.0834 0.0834
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0775 0.195 0.195
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Echinococcus multilocularis neuropeptide receptor A26 0.0775 0.195 0.195
Onchocerca volvulus 0.2037 0.5231 1
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Echinococcus multilocularis g protein coupled receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) solute carrier family 6 member 4 0.2037 0.5231 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0775 0.195 0.195
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni adenoreceptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Plasmodium vivax amine transporter, putative 0.0346 0.0834 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0346 0.0834 0.1566
Onchocerca volvulus 0.0775 0.195 0.2539
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0346 0.0834 0.0834
Echinococcus multilocularis dro:myosuppressin receptor 0.0775 0.195 0.195
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0775 0.195 0.3707
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Echinococcus multilocularis allatostatin A receptor 0.0775 0.195 0.195
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0346 0.0834 1
Loa Loa (eye worm) norepinephrine transporter 0.2037 0.5231 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0087 1
Treponema pallidum sodium- and chloride- dependent transporter 0.2037 0.5231 1
Loa Loa (eye worm) hypothetical protein 0.0346 0.0834 0.1566
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0087 1
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0017 0.5
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Loa Loa (eye worm) hypothetical protein 0.2037 0.5231 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Schistosoma mansoni growth hormone secretagogue receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0346 0.0834 0.1566
Brugia malayi hypothetical protein 0.0346 0.0834 0.1566
Loa Loa (eye worm) hypothetical protein 0.0346 0.0834 0.1566
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0775 0.195 0.3707
Echinococcus granulosus tm gpcr rhodopsin 0.0775 0.195 0.195
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0775 0.195 0.3707
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Echinococcus granulosus neuropeptide Y receptor 0.0775 0.195 0.195
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0346 0.0834 0.0834
Echinococcus granulosus neuropeptide Y receptor 0.0775 0.195 0.195
Onchocerca volvulus 0.0775 0.195 0.2539
Brugia malayi follicle stimulating hormone receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis sex peptide receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0775 0.195 0.3707
Schistosoma mansoni neuropeptide receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.3871 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0775 0.195 0.3707
Echinococcus granulosus g protein coupled receptor 0.0775 0.195 0.195
Echinococcus granulosus neuropeptide s receptor 0.0775 0.195 0.195
Echinococcus multilocularis sodium and chloride dependent glycine 0.0346 0.0834 0.0834
Echinococcus granulosus g protein coupled receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni biogenic amine (5HT) receptor 0.0775 0.195 0.3707
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0775 0.195 0.3707
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0775 0.195 0.3707
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0775 0.195 0.3707
Onchocerca volvulus Neuropeptide F receptor homolog 0.0775 0.195 0.2539
Brugia malayi Sodium:neurotransmitter symporter family protein 0.2037 0.5231 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0346 0.0834 0.0834
Schistosoma mansoni neuropeptide receptor 0.0775 0.195 0.3707
Brugia malayi putative neuropeptide receptor 0.0775 0.195 0.3707
Echinococcus granulosus neuropeptide FF receptor 2 0.0775 0.195 0.195
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Schistosoma mansoni myosin xvIII 0.0775 0.195 0.3707
Echinococcus granulosus g protein coupled receptor 0.0775 0.195 0.195
Brugia malayi neuropeptide F receptor 0.0775 0.195 0.3707
Schistosoma mansoni neuropeptide F-like receptor 0.0775 0.195 0.3707
Schistosoma mansoni hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus serotonin transporter 0.2037 0.5231 0.5231
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0346 0.0834 0.1566
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus 7TM GPCR rhodopsin 0.0775 0.195 0.195
Echinococcus granulosus rhodopsin orphan GPCR 0.0775 0.195 0.195
Schistosoma mansoni sodium-dependent amino acid transporter 0.0346 0.0834 0.1566
Echinococcus multilocularis g-protein coupled receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis neuropeptide Y receptor 0.0775 0.195 0.195
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus tachykinin peptides receptor 99D 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0346 0.0834 0.1566
Onchocerca volvulus 0.0775 0.195 0.2539
Toxoplasma gondii hypothetical protein 0.0346 0.0834 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0775 0.195 0.195
Brugia malayi Dopamine receptor protein 2 0.0775 0.195 0.3707
Brugia malayi Tachykinin-like peptides receptor 99D 0.0775 0.195 0.3707
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0775 0.195 0.3707
Schistosoma mansoni neuropeptide f receptor 76f 0.0775 0.195 0.3707
Schistosoma mansoni biogenic amine (5HT) receptor 0.0775 0.195 0.3707
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0087 0.0859
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0346 0.0834 0.1566
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0775 0.195 0.3707
Plasmodium falciparum transporter, putative 0.0346 0.0834 1
Onchocerca volvulus 0.0775 0.195 0.2539
Echinococcus multilocularis neuropeptide s receptor 0.0775 0.195 0.195
Onchocerca volvulus 0.0775 0.195 0.2539
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.2037 0.5231 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Echinococcus granulosus alpha 1A adrenergic receptor 0.0775 0.195 0.195
Brugia malayi sulfakinin receptor protein 0.0775 0.195 0.3707
Echinococcus granulosus serotonin receptor 0.0775 0.195 0.195
Schistosoma mansoni hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus peptide allatostatin:somatostatin 0.0775 0.195 0.195
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0346 0.0834 0.1566
Echinococcus granulosus rhodopsin orphan GPCR 0.0775 0.195 0.195
Schistosoma mansoni opsin-like receptor 0.0775 0.195 0.3707
Brugia malayi Serotonin receptor 0.0775 0.195 0.3707
Echinococcus granulosus neuropeptide receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Onchocerca volvulus 0.0775 0.195 0.2539
Onchocerca volvulus 0.0775 0.195 0.2539
Schistosoma mansoni biogenic amine receptor 0.0775 0.195 0.3707
Echinococcus multilocularis fmrfamide receptor 0.0775 0.195 0.195
Brugia malayi Serotonin receptor 0.0775 0.195 0.3707
Echinococcus multilocularis g protein coupled receptor 0.0775 0.195 0.195
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0346 0.0834 0.0834
Echinococcus multilocularis fmrfamide receptor 0.0775 0.195 0.195
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Brugia malayi G-protein coupled receptor 0.0775 0.195 0.3707
Echinococcus multilocularis serotonin receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus neuropeptide receptor A26 0.0775 0.195 0.195
Loa Loa (eye worm) neuropeptide F receptor 0.0775 0.195 0.3707
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Plasmodium vivax hypothetical protein, conserved 0.0346 0.0834 1
Echinococcus granulosus tm gpcr rhodopsin 0.0775 0.195 0.195
Loa Loa (eye worm) serotonin transporter b 0.2037 0.5231 1
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0775 0.195 0.195
Echinococcus multilocularis heat shock protein 90 0.0032 0.0017 0.0017
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0346 0.0834 0.1566
Echinococcus granulosus rhodopsin orphan GPCR 0.0775 0.195 0.195
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Loa Loa (eye worm) TYRA-2 protein 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0025 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0775 0.195 0.195
Onchocerca volvulus 0.0775 0.195 0.2539
Echinococcus multilocularis G protein coupled receptor 139 0.0775 0.195 0.195
Trypanosoma cruzi heat shock protein 90, putative 0.0032 0.0017 1
Echinococcus granulosus g-protein coupled receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Brugia malayi G protein-coupled receptor F59B2.13 0.0775 0.195 0.3707
Schistosoma mansoni amine GPCR 0.0775 0.195 0.3707
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0775 0.195 0.3707
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Schistosoma mansoni neuropeptide receptor 0.0775 0.195 0.3707
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0087 0.0135
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0087 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0775 0.195 0.195
Onchocerca volvulus 0.0775 0.195 0.2539
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0017 1
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni neuropeptide F-like receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni amine GPCR 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Brugia malayi Melatonin receptor type 1A 0.0775 0.195 0.3707
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0025 0 0.5
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0775 0.195 0.195
Brugia malayi GnHR receptor homolog 0.0775 0.195 0.3707
Plasmodium falciparum amino acid transporter, putative 0.0346 0.0834 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0346 0.0834 0.0834
Schistosoma mansoni neuropeptide receptor 0.0775 0.195 0.3707
Echinococcus granulosus heat shock protein 0.0032 0.0017 0.0017
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0346 0.0834 0.1566
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0346 0.0834 0.1566
Echinococcus granulosus orexin receptor type 2 0.0775 0.195 0.195
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0087 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0775 0.195 0.195
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0775 0.195 0.2539
Echinococcus granulosus heat shock protein 90 0.0032 0.0017 0.0017
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0775 0.195 0.195
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.0017 0.5
Schistosoma mansoni amine GPCR 0.0775 0.195 0.3707
Onchocerca volvulus 0.0775 0.195 0.2539
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0017 0.5
Onchocerca volvulus 0.0775 0.195 0.2539
Echinococcus multilocularis neuropeptides capa receptor 0.0775 0.195 0.195
Echinococcus granulosus allatostatin A receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0346 0.0834 0.1566
Echinococcus granulosus G protein coupled receptor 139 0.0775 0.195 0.195
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0346 0.0834 0.1566
Loa Loa (eye worm) G-protein coupled receptor 0.0775 0.195 0.3707
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) melatonin receptor type 1A 0.0775 0.195 0.3707
Echinococcus multilocularis somatostatin receptor 0.0775 0.195 0.195
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0775 0.195 0.195
Echinococcus granulosus rhodopsin orphan GPCR 0.0775 0.195 0.195
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Echinococcus granulosus biogenic amine 5HT receptor 0.0775 0.195 0.195
Echinococcus granulosus hypothetical protein 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0346 0.0834 1
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0775 0.195 0.195
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0775 0.195 0.195
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0087 0.0135
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni histamine h1 receptor 0.0775 0.195 0.3707
Echinococcus granulosus biogenic amine 5HT receptor 0.0775 0.195 0.195
Brugia malayi larval opioid receptor 0.0775 0.195 0.3707
Schistosoma mansoni sodium/chloride dependent transporter 0.0346 0.0834 0.1566
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0775 0.195 0.195
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0087 1
Schistosoma mansoni hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0087 0.0087
Echinococcus multilocularis neuropeptides capa receptor 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0775 0.195 0.195
Echinococcus granulosus dro:myosuppressin receptor 0.0775 0.195 0.195
Schistosoma mansoni alpha-1 adrenergic receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.2037 0.5231 1
Echinococcus granulosus sex peptide receptor 0.0775 0.195 0.195
Onchocerca volvulus 0.0775 0.195 0.2539
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus rhodopsin orphan GPCR 0.0775 0.195 0.195
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0346 0.0834 0.1566
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus rhodopsin orphan GPCR 0.0775 0.195 0.195
Echinococcus multilocularis rhodopsin orphan GPCR 0.0775 0.195 0.195
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.0017 0.5
Echinococcus multilocularis orexin receptor type 2 0.0775 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0775 0.195 0.195
Echinococcus multilocularis neuropeptide Y receptor 0.0775 0.195 0.195
Brugia malayi G protein-coupled receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.2037 0.5231 1
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Schistosoma mansoni amine GPCR 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0346 0.0834 0.1566
Schistosoma mansoni biogenic amine receptor 0.0775 0.195 0.3707
Schistosoma mansoni amine GPCR 0.0775 0.195 0.3707
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0346 0.0834 0.1566
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0346 0.0834 0.1566
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni sodium/chloride dependent transporter 0.0346 0.0834 0.1566
Echinococcus granulosus neuropeptides capa receptor 0.0775 0.195 0.195
Trypanosoma brucei heat shock protein, putative 0.0032 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0775 0.195 0.3707
Onchocerca volvulus 0.0775 0.195 0.2539
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0775 0.195 0.3707
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0346 0.0834 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0775 0.195 0.3707
Brugia malayi Dopamine receptor 0.0775 0.195 0.3707
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0017 1
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus fmrfamide receptor 0.0775 0.195 0.195
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Toxoplasma gondii hypothetical protein 0.0346 0.0834 1
Onchocerca volvulus 0.0775 0.195 0.2539
Echinococcus granulosus rhodopsin orphan GPCR 0.0775 0.195 0.195
Brugia malayi Dopamine receptor protein 1 0.0775 0.195 0.3707
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Onchocerca volvulus 0.0775 0.195 0.2539
Loa Loa (eye worm) hypothetical protein 0.0346 0.0834 0.1566
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0775 0.195 0.195
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Leishmania major heat shock protein 83-1 0.0032 0.0017 0.193
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Schistosoma mansoni opsin-like receptor 0.0775 0.195 0.3707
Trypanosoma cruzi Heat shock protein 83, putative 0.0032 0.0017 1
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0775 0.195 0.195
Brugia malayi putative neuropeptide receptor NPR1 0.0775 0.195 0.3707
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0346 0.0834 0.0834
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0346 0.0834 0.1566
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0775 0.195 0.195
Brugia malayi neuropeptide F receptor 0.0775 0.195 0.3707
Brugia malayi hypothetical protein 0.0775 0.195 0.3707
Onchocerca volvulus 0.0775 0.195 0.2539
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707
Trypanosoma brucei Heat shock protein 83, putative 0.0032 0.0017 0.5
Echinococcus multilocularis serotonin transporter 0.2037 0.5231 0.5231
Echinococcus granulosus sodium and chloride dependent glycine 0.0346 0.0834 0.0834
Brugia malayi AKH receptor 0.0775 0.195 0.3707
Brugia malayi G-protein coupled receptor 0.0775 0.195 0.3707
Schistosoma mansoni biogenic amine receptor 0.0775 0.195 0.3707
Onchocerca volvulus 0.0775 0.195 0.2539
Echinococcus multilocularis heat shock protein 0.0032 0.0017 0.0017
Echinococcus granulosus somatostatin receptor 0.0775 0.195 0.195
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0775 0.195 0.3707
Loa Loa (eye worm) hypothetical protein 0.0775 0.195 0.3707

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 29.7 nM Efficacy for human ORL1 receptor expressing HEK-293 cells ChEMBL. 11689089
EC50 (functional) = 29.7 nM Efficacy for human ORL1 receptor expressing HEK-293 cells ChEMBL. 11689089
Emax (functional) = 94 % Efficacy for human ORL1 receptor expressing HEK-293 cell membrane ChEMBL. 11689089
Emax (functional) = 94 % Efficacy for human ORL1 receptor expressing HEK-293 cell membrane ChEMBL. 11689089
IC50 (binding) = 3.03 nM Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane ChEMBL. 11689089
IC50 (binding) = 3.03 nM Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane ChEMBL. 11689089

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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