Detailed information for compound 1744312

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1697.94 | Formula: C72H112N24O20S2
  • H donors: 24 H acceptors: 20 LogP: -8.09 Rotable bonds: 34
    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)N1C[C@@H](Cc2c1cccc2)C(=O)N[C@@H](C(=O)O)CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CO)C)Cc1ccccc1)[C@H](CC)C)C
  • InChi: 1S/C72H112N24O20S2/c1-6-36(3)55-66(112)90-47(28-54(101)102)63(109)87-44(20-14-24-81-71(76)77)62(108)95-56(37(4)7-2)67(113)93-50(68(114)96-31-41(27-40-18-11-12-22-51(40)96)58(104)88-45(69(115)116)21-15-25-82-72(78)79)35-118-117-34-49(92-64(110)48(33-98)91-59(105)42(73)32-97)65(111)85-38(5)57(103)89-46(26-39-16-9-8-10-17-39)60(106)84-29-52(99)83-30-53(100)86-43(61(107)94-55)19-13-23-80-70(74)75/h8-12,16-18,22,36-38,41-50,55-56,97-98H,6-7,13-15,19-21,23-35,73H2,1-5H3,(H,83,99)(H,84,106)(H,85,111)(H,86,100)(H,87,109)(H,88,104)(H,89,103)(H,90,112)(H,91,105)(H,92,110)(H,93,113)(H,94,107)(H,95,108)(H,101,102)(H,115,116)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t36-,37-,38-,41+,42-,43+,44-,45+,46+,47+,48-,49-,50-,55-,56-/m0/s1
  • InChiKey: XHABYRQAORONSG-APERMTBBSA-N  


Substructure search Similarity search

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 Muscarinic acetylcholine receptor M1 Starlite/ChEMBL No 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
Loa Loa (eye worm) hypothetical protein Muscarinic acetylcholine receptor M1   460 aa 425 aa 22.1 %
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Echinococcus multilocularis serotonin receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Muscarinic acetylcholine receptor M1   460 aa 462 aa 23.4 %
Schistosoma mansoni amine GPCR Muscarinic acetylcholine receptor M1   460 aa 463 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MAP kinase sur-1 0.0061 0.0068 0.174
Echinococcus granulosus rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0062 0.0071 0.0071
Brugia malayi TAR-binding protein 0.0126 0.0222 0.5716
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0035 0.0006 0.0153
Loa Loa (eye worm) neuropeptide F receptor 0.0035 0.0006 0.0153
Echinococcus multilocularis neuropeptides capa receptor 0.0035 0.0006 0.0006
Brugia malayi RE15519p 0.0035 0.0006 0.0153
Schistosoma mansoni neuropeptide f receptor 76f 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0084 0.0123 0.3158
Trypanosoma cruzi UDP-galactopyranose mutase 0.0197 0.0388 0.0323
Echinococcus multilocularis fmrfamide receptor 0.0035 0.0006 0.0006
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0062 0.0071 0.0071
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0102 0.0165 0.4248
Brugia malayi follicle stimulating hormone receptor 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0197 0.0388 1
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.005 0.0042 0.1085
Loa Loa (eye worm) hypothetical protein 0.0165 0.0313 0.8062
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0197 0.0388 0.0388
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0197 0.0388 1
Echinococcus granulosus neuropeptide s receptor 0.0035 0.0006 0.0006
Mycobacterium tuberculosis Conserved hypothetical protein 0.0197 0.0388 0.0558
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0035 0.0006 0.0006
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.0094 0.0094
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.2595 0.6056 1
Brugia malayi AKH receptor 0.0035 0.0006 0.0153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Plasmodium vivax hypothetical protein, conserved 0.0197 0.0388 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0165 0.0313 0.7654
Schistosoma mansoni amine oxidase 0.0197 0.0388 0.0388
Echinococcus multilocularis neuropeptide Y receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis serotonin receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) neuropeptide F receptor 0.0035 0.0006 0.0153
Brugia malayi putative neuropeptide receptor 0.0035 0.0006 0.0153
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0165 0.0313 0.8062
Loa Loa (eye worm) RNA binding protein 0.0126 0.0222 0.5716
Brugia malayi Dopamine receptor protein 2 0.0035 0.0006 0.0153
Loa Loa (eye worm) TAR-binding protein 0.0126 0.0222 0.5716
Schistosoma mansoni hypothetical protein 0.0035 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0081 0.0115 0.0115
Echinococcus granulosus mitogen activated protein kinase 0.0061 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0103 0.0167 0.4311
Echinococcus multilocularis dro:myosuppressin receptor 0.0035 0.0006 0.0006
Leishmania major UDP-galactopyranose mutase 0.0197 0.0388 0.0323
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Echinococcus granulosus 7tm_1 domain containing protein 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.0053 0.0053
Schistosoma mansoni patched 1 0.0084 0.0123 0.0123
Echinococcus granulosus lysine specific histone demethylase 1A 0.0197 0.0388 0.0388
Schistosoma mansoni biogenic amine (5HT) receptor 0.0035 0.0006 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0072 0.0094 0.0094
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0196 0.0387 0.9974
Echinococcus multilocularis tumor protein p63 0.0342 0.0733 0.0733
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni biogenic amine receptor 0.0035 0.0006 0.0006
Echinococcus granulosus lysine specific histone demethylase 1A 0.0197 0.0388 0.0388
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0035 0.0006 0.0006
Echinococcus granulosus dro:myosuppressin receptor 0.0035 0.0006 0.0006
Brugia malayi hypothetical protein 0.0072 0.0094 0.2409
Schistosoma mansoni amine GPCR 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi putative neuropeptide receptor NPR1 0.0035 0.0006 0.0153
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0197 0.0388 1
Brugia malayi Cytochrome P450 family protein 0.0045 0.0029 0.0758
Echinococcus granulosus peptide allatostatin:somatostatin 0.0035 0.0006 0.0006
Echinococcus granulosus neuropeptides capa receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0035 0.0006 0.0006
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0165 0.0313 0.0247
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis neuropeptide Y receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis 0.0197 0.0388 0.0388
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.0053 0.0053
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0068 0.0006
Schistosoma mansoni neuropeptide receptor 0.0035 0.0006 0.0006
Brugia malayi GnHR receptor homolog 0.0035 0.0006 0.0153
Schistosoma mansoni hypothetical protein 0.007 0.0089 0.0089
Schistosoma mansoni myosin xvIII 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) G-protein coupled receptor 0.0035 0.0006 0.0153
Echinococcus multilocularis protein dispatched 1 0.0096 0.0151 0.0151
Echinococcus multilocularis g protein coupled receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis g protein coupled receptor 0.0035 0.0006 0.0006
Schistosoma mansoni amine GPCR 0.0035 0.0006 0.0006
Echinococcus granulosus sterol regulatory element binding protein 0.0084 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.4263 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0089 0.2282
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0061 0.0068 0.174
Schistosoma mansoni hypothetical protein 0.0081 0.0115 0.0115
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0029 0.0758
Loa Loa (eye worm) hypothetical protein 0.0084 0.0121 0.3123
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0035 0.0006 0.0153
Brugia malayi G protein-coupled receptor F59B2.13 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi Probable ATP-dependent helicase DHX35 0.0039 0.0015 0.0384
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0035 0.0006 0.0153
Brugia malayi Serotonin receptor 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0197 0.0388 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.4263 1 1
Brugia malayi sulfakinin receptor protein 0.0035 0.0006 0.0153
Echinococcus granulosus geminin 0.0166 0.0316 0.0316
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0165 0.0313 0.0253
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.0165 0.4248
Loa Loa (eye worm) hypothetical protein 0.0054 0.0051 0.1326
Echinococcus granulosus rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0035 0.0006 0.0006
Trypanosoma cruzi UDP-galactopyranose mutase 0.0197 0.0388 0.0323
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0035 0.0006 0.0006
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0035 0.0006 0.0006
Echinococcus granulosus sex peptide receptor 0.0035 0.0006 0.0006
Mycobacterium ulcerans hypothetical protein 0.0165 0.0313 0.03
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0035 0.0006 0.0006
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0035 0.0006 0.0153
Schistosoma mansoni neuropeptide receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni voltage-gated potassium channel 0.0068 0.0084 0.0084
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0197 0.0388 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0197 0.0388 0.0388
Echinococcus granulosus fmrfamide receptor 0.0035 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0166 0.0316 0.0316
Echinococcus multilocularis somatostatin receptor 0.0035 0.0006 0.0006
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.0165 0.4248
Echinococcus granulosus rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0035 0.0006 0.0006
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis mitogen activated protein kinase 0.0061 0.0068 0.0068
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0035 0.0006 0.0006
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0068 0.0006
Echinococcus granulosus expressed conserved protein 0.0184 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.0197 0.0388 1
Echinococcus multilocularis g-protein coupled receptor 0.0035 0.0006 0.0006
Brugia malayi CHE-14 protein 0.0084 0.0123 0.3158
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.4263 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Schistosoma mansoni opsin-like receptor 0.0035 0.0006 0.0006
Echinococcus granulosus G protein coupled receptor 139 0.0035 0.0006 0.0006
Entamoeba histolytica hypothetical protein, conserved 0.4263 1 1
Echinococcus granulosus hypothetical protein 0.0035 0.0006 0.0006
Schistosoma mansoni amine GPCR 0.0035 0.0006 0.0006
Schistosoma mansoni amine GPCR 0.0035 0.0006 0.0006
Echinococcus granulosus biogenic amine 5HT receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0197 0.0388 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0035 0.0006 0.0006
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0035 0.0006 0.0006
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.0165 0.4248
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0197 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.0035 0.0006 0.0006
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0068 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi ORL1-like opioid receptor 0.0035 0.0006 0.0153
Schistosoma mansoni neuropeptide F-like receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0035 0.0006 0.0006
Echinococcus granulosus alpha 1A adrenergic receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis G protein coupled receptor 139 0.0035 0.0006 0.0006
Echinococcus granulosus g-protein coupled receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.0121 0.0121
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0035 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.4263 1 1
Echinococcus multilocularis allatostatin A receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis sterol regulatory element binding protein 0.0084 0.0123 0.0123
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0222 0.0222
Schistosoma mansoni biogenic amine receptor 0.0035 0.0006 0.0006
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0121 0.1674
Brugia malayi Probable ClpP-like protease 0.0084 0.0121 0.3123
Echinococcus granulosus mitogen activated protein kinase 3 0.0061 0.0068 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0123 0.0062
Echinococcus multilocularis neuropeptide s receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis tar DNA binding protein 0.0126 0.0222 0.0222
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0035 0.0006 0.0153
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0035 0.0006 0.0006
Echinococcus granulosus tachykinin peptides receptor 99D 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi Serotonin receptor 0.0035 0.0006 0.0153
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0035 0.0006 0.0153
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.007 0.0089 0.2282
Echinococcus granulosus tumor protein p63 0.0342 0.0733 0.0733
Brugia malayi Melatonin receptor type 1A 0.0035 0.0006 0.0153
Schistosoma mansoni alpha-1 adrenergic receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) melatonin receptor type 1A 0.0035 0.0006 0.0153
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0062 0.0071 0.1827
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis Niemann Pick C1 protein 0.0196 0.0387 0.0387
Schistosoma mansoni hypothetical protein 0.0035 0.0006 0.0006
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0035 0.0006 0.0006
Echinococcus granulosus somatostatin receptor 0.0035 0.0006 0.0006
Echinococcus granulosus tm gpcr rhodopsin 0.0035 0.0006 0.0006
Echinococcus multilocularis g protein coupled receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1615 0.3742 0.3742
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis fmrfamide receptor 0.0035 0.0006 0.0006
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.0121 0.1674
Brugia malayi RNA binding protein 0.0126 0.0222 0.5716
Echinococcus granulosus g protein coupled receptor 0.0035 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0166 0.0316 0.0316
Mycobacterium ulcerans dehydrogenase 0.0197 0.0388 0.0417
Schistosoma mansoni opsin-like receptor 0.0035 0.0006 0.0006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Brugia malayi neuropeptide F receptor 0.0035 0.0006 0.0153
Mycobacterium ulcerans monoamine oxidase 0.0197 0.0388 0.0417
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis serotonin receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis neuropeptide FF receptor 2 0.0035 0.0006 0.0006
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0035 0.0006 0.0153
Echinococcus multilocularis expressed conserved protein 0.0184 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi Dopamine receptor protein 1 0.0035 0.0006 0.0153
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0035 0.0006 0.0006
Loa Loa (eye worm) TYRA-2 protein 0.0035 0.0006 0.0153
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0197 0.0388 1
Echinococcus multilocularis orexin receptor type 2 0.0035 0.0006 0.0006
Chlamydia trachomatis protoporphyrinogen oxidase 0.0197 0.0388 1
Echinococcus multilocularis neuropeptides capa receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) DEAH box polypeptide 35 0.0039 0.0015 0.0384
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Brugia malayi Tachykinin-like peptides receptor 99D 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis neuropeptide receptor A26 0.0035 0.0006 0.0006
Schistosoma mansoni neuropeptide receptor 0.0035 0.0006 0.0006
Mycobacterium ulcerans oxidoreductase 0.0197 0.0388 0.0417
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0165 0.0313 0.0253
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0035 0.0006 0.0006
Echinococcus granulosus 7TM GPCR rhodopsin 0.0035 0.0006 0.0006
Echinococcus granulosus rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Brugia malayi amine oxidase, flavin-containing family protein 0.0197 0.0388 1
Echinococcus granulosus Niemann Pick C1 protein 0.0196 0.0387 0.0387
Schistosoma mansoni amine GPCR 0.0035 0.0006 0.0006
Echinococcus granulosus Niemann Pick C1 protein 0.028 0.0586 0.0586
Echinococcus multilocularis neuropeptide receptor 0.0035 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0081 0.0115 0.0115
Echinococcus granulosus rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Echinococcus granulosus Protein patched homolog 1 0.0084 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0081 0.0115 0.0115
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2791 0.6521 1
Onchocerca volvulus 0.0197 0.0388 1
Schistosoma mansoni adenoreceptor 0.0035 0.0006 0.0006
Schistosoma mansoni biogenic amine (5HT) receptor 0.0035 0.0006 0.0006
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4263 1 1
Echinococcus multilocularis neuropeptide receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis sex peptide receptor 0.0035 0.0006 0.0006
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0165 0.0313 0.0247
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0222 0.0222
Schistosoma mansoni neuropeptide receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0062 0.0071 0.1827
Giardia lamblia Rrm3p helicase 0.4263 1 1
Echinococcus granulosus neuropeptide receptor 0.0035 0.0006 0.0006
Echinococcus granulosus neuropeptide Y receptor 0.0035 0.0006 0.0006
Echinococcus granulosus orexin receptor type 2 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0197 0.0388 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0035 0.0006 0.0006
Brugia malayi SWIRM domain containing protein 0.0197 0.0388 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.0222 0.5716
Toxoplasma gondii histone lysine-specific demethylase 0.0197 0.0388 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0165 0.0313 0.0253
Schistosoma mansoni hypothetical protein 0.0035 0.0006 0.0006
Onchocerca volvulus 0.005 0.0042 0.0947
Entamoeba histolytica DNA repair and recombination protein, putative 0.4263 1 1
Loa Loa (eye worm) hypothetical protein 0.0197 0.0388 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Brugia malayi G-protein coupled receptor 0.0035 0.0006 0.0153
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0084 0.0123 0.3158
Echinococcus granulosus serotonin receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis Niemann Pick C1 protein 0.028 0.0586 0.0586
Brugia malayi Niemann-Pick C1 protein precursor 0.0196 0.0387 0.9974
Plasmodium vivax hypothetical protein, conserved 0.0197 0.0388 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0042 0.0042
Echinococcus granulosus tm gpcr rhodopsin 0.0035 0.0006 0.0006
Echinococcus multilocularis G-protein coupled receptor, putative 0.0035 0.0006 0.0006
Echinococcus granulosus tm gpcr rhodopsin 0.0035 0.0006 0.0006
Echinococcus multilocularis geminin 0.0166 0.0316 0.0316
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.0121 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0197 0.0388 0.0558
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0035 0.0006 0.0006
Schistosoma mansoni voltage-gated potassium channel 0.0068 0.0084 0.0084
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0035 0.0006 0.0006
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0035 0.0006 0.0006
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4263 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0035 0.0006 0.0153
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0222 0.0222
Schistosoma mansoni opsin-like receptor 0.0035 0.0006 0.0006
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0197 0.0388 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0197 0.0388 0.0417
Echinococcus granulosus allatostatin A receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.0121 0.0121
Loa Loa (eye worm) hypothetical protein 0.0197 0.0388 1
Echinococcus granulosus neuropeptide receptor 0.0035 0.0006 0.0006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0035 0.0006 0.0006
Schistosoma mansoni neuropeptide F-like receptor 0.0035 0.0006 0.0006
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0165 0.0313 0.0247
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0165 0.0313 0.0247
Echinococcus granulosus tar DNA binding protein 0.0126 0.0222 0.0222
Echinococcus granulosus g protein coupled receptor 0.0035 0.0006 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0222 0.0222
Echinococcus granulosus biogenic amine 5HT receptor 0.0035 0.0006 0.0006
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4263 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0035 0.0006 0.0006
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.0068 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.0121 0.2032
Schistosoma mansoni growth hormone secretagogue receptor 0.0035 0.0006 0.0006
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Schistosoma mansoni histamine h1 receptor 0.0035 0.0006 0.0006
Loa Loa (eye worm) G-protein coupled receptor 0.0035 0.0006 0.0153
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.0121 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus multilocularis protein patched 0.0084 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi Dopamine receptor 0.0035 0.0006 0.0153
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.0094 0.0094
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.2791 0.6521 1
Schistosoma mansoni tar DNA-binding protein 0.0126 0.0222 0.0222
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0068 0.0068
Brugia malayi G protein-coupled receptor 0.0035 0.0006 0.0153
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0035 0.0006 0.0006
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0196 0.0387 0.0296
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.4263 1 1
Brugia malayi neuropeptide F receptor 0.0035 0.0006 0.0153
Echinococcus multilocularis rhodopsin orphan GPCR 0.0035 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Echinococcus granulosus neuropeptide receptor A26 0.0035 0.0006 0.0006
Brugia malayi G-protein coupled receptor 0.0035 0.0006 0.0153
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Brugia malayi hypothetical protein 0.0197 0.0388 1
Echinococcus granulosus neuropeptides capa receptor 0.0035 0.0006 0.0006
Echinococcus granulosus g protein coupled receptor 0.0035 0.0006 0.0006
Echinococcus granulosus neuropeptide Y receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis protoporphyrinogen oxidase 0.0197 0.0388 0.0388
Echinococcus multilocularis mitogen activated protein kinase 3 0.0061 0.0068 0.0068
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0035 0.0006 0.0006
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.4263 1 1
Brugia malayi larval opioid receptor 0.0035 0.0006 0.0153
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0035 0.0006 0.0153
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0035 0.0006 0.0006
Schistosoma mansoni biogenic amine receptor 0.0035 0.0006 0.0006
Plasmodium falciparum protoporphyrinogen oxidase 0.0197 0.0388 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0165 0.0313 0.0222
Schistosoma mansoni amine oxidase 0.0197 0.0388 0.0388
Brugia malayi hypothetical protein 0.0035 0.0006 0.0153
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4263 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0199 0.0394 0.0394
Loa Loa (eye worm) hypothetical protein 0.0035 0.0006 0.0153
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.0222 0.5716
Loa Loa (eye worm) hypothetical protein 0.0039 0.0015 0.0384

Activities

Activity type Activity value Assay description Source Reference
Efficacy (functional) = 60 % In vitro efficacy in the ileum model as a functional measure of peripheral muscarinic M1 receptor activity. ChEMBL. No reference
Ki (functional) = 200 nM In vitro 100 nM cortex affinity to displace [3H]- -pirenzepine providing a measure of muscarinic m1 receptor antagonist affinity ChEMBL. No reference
Ki (functional) = 960 nM In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity ChEMBL. No reference
pD2 (functional) < 4 In vitro muscarinic agonist potency in the ganglion model as a functional measure of central muscarinic M1 receptor activity. ChEMBL. No reference
pD2 (functional) = 4.1 In vitro for muscarinic M1 receptor agonist potency in the ileum model as a functional measure of peripheral muscarinic activity. ChEMBL. No reference

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

No literature references available for this target.

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