Detailed information for compound 377649

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1072.22 | Formula: C46H65N13O13S2
  • H donors: 14 H acceptors: 13 LogP: -5.77 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 4
  • SMILES: NC(=O)C[C@@H]1NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)C([C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)CCCN=C(N)N)C)C)N
  • InChi: 1S/C46H65N13O13S2/c1-23(24(2)39(66)54-29(9-6-16-52-46(50)51)41(68)53-20-37(63)64)38(65)34-22-74-73-21-28(47)40(67)56-31(18-26-10-12-27(60)13-11-26)44(71)57-32(17-25-7-4-3-5-8-25)43(70)55-30(14-15-35(48)61)42(69)58-33(19-36(49)62)45(72)59-34/h3-5,7-8,10-13,23-24,28-34,60H,6,9,14-22,47H2,1-2H3,(H2,48,61)(H2,49,62)(H,53,68)(H,54,66)(H,55,70)(H,56,67)(H,57,71)(H,58,69)(H,59,72)(H,63,64)(H4,50,51,52)/t23?,24-,28+,29-,30+,31+,32-,33-,34-/m0/s1
  • InChiKey: DKULRTBGVQSZAM-RDHPHNSJSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) phosphatidylinositol 3 0.0028 0.0032 0.0529
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis neuropeptide receptor 0.0065 0.0209 0.0209
Onchocerca volvulus 0.0065 0.0209 0.4349
Brugia malayi RNA binding protein 0.0063 0.0198 0.2921
Brugia malayi Serotonin receptor 0.0065 0.0209 0.3119
Echinococcus granulosus rhodopsin orphan GPCR 0.0065 0.0209 0.0178
Toxoplasma gondii ABC1 family protein 0.0058 0.0177 0.255
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0092 0.0339 0.5399
Loa Loa (eye worm) phosphatidylinositol 3 0.0028 0.0032 0.0529
Schistosoma mansoni amine GPCR 0.0065 0.0209 0.3483
Echinococcus granulosus beta LACTamase domain containing family member 0.0058 0.0177 0.0145
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0146 0.06 0.057
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0146 0.06 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Schistosoma mansoni fkbp-rapamycin associated protein 0.0083 0.0293 0.4887
Schistosoma mansoni hypothetical protein 0.0028 0.0032 0.0529
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0372 0.1688 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0198 0.3296
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0083 0.0293 0.4887
Trypanosoma cruzi target of rapamycin kinase 3 0.0146 0.06 0.175
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus granulosus neuropeptide s receptor 0.0065 0.0209 0.0178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0065 0.0209 0.3119
Onchocerca volvulus 0.0065 0.0209 0.4349
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0177 0.0515
Echinococcus granulosus serine protein kinase ATM 0.0083 0.0293 0.0262
Trichomonas vaginalis esterase, putative 0.0058 0.0177 0.255
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Onchocerca volvulus 0.0065 0.0209 0.4349
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0028 0.0032 0.0032
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0028 0.0032 0.0093
Echinococcus granulosus G protein coupled receptor 139 0.0065 0.0209 0.0178
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0054 0.0158 0.046
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Schistosoma mansoni amine GPCR 0.0065 0.0209 0.3483
Onchocerca volvulus 0.0033 0.0056 0.06
Schistosoma mansoni biogenic amine receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0065 0.0209 0.3483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0146 0.06 0.1609
Schistosoma mansoni neuropeptide receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0065 0.0209 0.3483
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0065 0.0209 0.0178
Schistosoma mansoni growth hormone secretagogue receptor 0.0065 0.0209 0.3483
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0146 0.06 0.06
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0065 0.0209 0.0209
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0146 0.06 0.1609
Echinococcus multilocularis neuropeptide receptor A26 0.0065 0.0209 0.0209
Loa Loa (eye worm) phosphatidylinositol 3 0.0146 0.06 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0065 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus granulosus rhodopsin orphan GPCR 0.0065 0.0209 0.0178
Schistosoma mansoni alpha-1 adrenergic receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0058 0.0177 0.2944
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0146 0.06 0.175
Entamoeba histolytica hypothetical protein 0.0083 0.0293 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0065 0.0209 0.0209
Loa Loa (eye worm) beta-lactamase 0.0058 0.0177 0.2944
Echinococcus granulosus neuropeptides capa receptor 0.0065 0.0209 0.0178
Brugia malayi Dopamine receptor 0.0065 0.0209 0.3119
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0198 0.3296
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0028 0.0032 0.0093
Echinococcus multilocularis neuropeptides capa receptor 0.0065 0.0209 0.0209
Brugia malayi beta-lactamase family protein 0.0058 0.0177 0.255
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Giardia lamblia GTOR 0.0146 0.06 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0177 0.0515
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0064 0.0203 0.3386
Echinococcus multilocularis g protein coupled receptor 0.0065 0.0209 0.0209
Echinococcus multilocularis neuropeptide s receptor 0.0065 0.0209 0.0209
Echinococcus multilocularis serotonin receptor 0.0065 0.0209 0.0209
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0058 0.0177 0.0875
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0065 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Onchocerca volvulus 0.0065 0.0209 0.4349
Echinococcus granulosus 7tm_1 domain containing protein 0.0065 0.0209 0.0178
Trichomonas vaginalis D-aminoacylase, putative 0.0058 0.0177 0.255
Loa Loa (eye worm) peptidase family M1 containing protein 0.0091 0.0336 0.5594
Schistosoma mansoni opsin-like receptor 0.0065 0.0209 0.3483
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0065 0.0209 0.0178
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0146 0.06 0.057
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0146 0.06 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0033 0.0056 0.0164
Schistosoma mansoni hypothetical protein 0.0065 0.0209 0.3483
Schistosoma mansoni biogenic amine (5HT) receptor 0.0065 0.0209 0.3483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0058 0.0177 0.2944
Echinococcus multilocularis g protein coupled receptor 0.0065 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Mycobacterium tuberculosis Conserved protein 0.0058 0.0177 0.0875
Brugia malayi Peptidase family M1 containing protein 0.0113 0.0439 0.7172
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0146 0.06 0.175
Mycobacterium tuberculosis Probable lipase LipE 0.0058 0.0177 0.0875
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0028 0.0032 0.0032
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0065 0.0209 0.0178
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0092 0.0339 0.5642
Echinococcus granulosus neuropeptide receptor A26 0.0065 0.0209 0.0178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0065 0.0209 0.0209
Brugia malayi Melatonin receptor type 1A 0.0065 0.0209 0.3119
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus granulosus 7TM GPCR rhodopsin 0.0065 0.0209 0.0178
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0058 0.0177 0.2944
Loa Loa (eye worm) hypothetical protein 0.0058 0.0177 0.2944
Brugia malayi G-protein coupled receptor 0.0065 0.0209 0.3119
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0033 0.0056 0.0069
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Brugia malayi FAT domain containing protein 0.0064 0.0203 0.3017
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0198 0.3296
Mycobacterium ulcerans hypothetical protein 0.0058 0.0177 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0065 0.0209 0.3119
Echinococcus granulosus neuropeptide Y receptor 0.0065 0.0209 0.0178
Loa Loa (eye worm) hypothetical protein 0.0058 0.0177 0.2944
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Toxoplasma gondii target of rapamycin (TOR), putative 0.0146 0.06 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0146 0.06 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0065 0.0209 0.0209
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Onchocerca volvulus 0.0058 0.0177 0.3556
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0033 0.0056 0.0025
Leishmania major hypothetical protein, conserved 0.0763 0.3566 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0065 0.0209 0.3119
Loa Loa (eye worm) phosphatidylinositol 3 0.0028 0.0032 0.0529
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Brugia malayi RE15519p 0.0065 0.0209 0.3119
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0065 0.0209 0.0178
Mycobacterium ulcerans beta-lactamase 0.0058 0.0177 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Schistosoma mansoni opsin-like receptor 0.0065 0.0209 0.3483
Echinococcus granulosus aminopeptidase N 0.0113 0.0439 0.0409
Brugia malayi GnHR receptor homolog 0.0065 0.0209 0.3119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Onchocerca volvulus 0.0065 0.0209 0.4349
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Echinococcus granulosus biogenic amine 5HT receptor 0.0065 0.0209 0.0178
Mycobacterium tuberculosis Conserved protein 0.0058 0.0177 0.0875
Brugia malayi Dopamine receptor protein 2 0.0065 0.0209 0.3119
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0028 0.0032 0.0032
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0065 0.0209 0.3483
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0065 0.0209 0.4349
Echinococcus granulosus g-protein coupled receptor 0.0065 0.0209 0.0178
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0028 0.0032 0.0529
Loa Loa (eye worm) hypothetical protein 0.0058 0.0177 0.2944
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0033 0.0056 0.0069
Brugia malayi beta-lactamase 0.0058 0.0177 0.255
Brugia malayi G protein-coupled receptor 0.0065 0.0209 0.3119
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0058 0.0177 0.0875
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0158 0.2219
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus granulosus dro:myosuppressin receptor 0.0065 0.0209 0.0178
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis somatostatin receptor 0.0065 0.0209 0.0209
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0028 0.0032 0.0093
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Brugia malayi ORL1-like opioid receptor 0.0065 0.0209 0.3119
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0065 0.0209 0.0209
Echinococcus granulosus g protein coupled receptor 0.0065 0.0209 0.0178
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0028 0.0032 0.0529
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0028 0.0032 0.0529
Echinococcus granulosus rhodopsin orphan GPCR 0.0065 0.0209 0.0178
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0033 0.0056 0.043
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis aminopeptidase N 0.0113 0.0439 0.0439
Schistosoma mansoni amine GPCR 0.0065 0.0209 0.3483
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0033 0.0056 0.0025
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0083 0.0293 0.0293
Loa Loa (eye worm) G-protein coupled receptor 0.0065 0.0209 0.3483
Mycobacterium leprae Probable lipase LipE 0.0058 0.0177 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0028 0.0032 0.5
Brugia malayi sulfakinin receptor protein 0.0065 0.0209 0.3119
Onchocerca volvulus 0.0065 0.0209 0.4349
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0177 1
Echinococcus granulosus hypothetical protein 0.0065 0.0209 0.0178
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0065 0.0209 0.3119
Schistosoma mansoni opsin-like receptor 0.0065 0.0209 0.3483
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0198 0.2921
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus granulosus tar DNA binding protein 0.0063 0.0198 0.0167
Echinococcus granulosus orexin receptor type 2 0.0065 0.0209 0.0178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Schistosoma mansoni histamine h1 receptor 0.0065 0.0209 0.3483
Echinococcus granulosus serotonin receptor 0.0065 0.0209 0.0178
Loa Loa (eye worm) aminopeptidase N 0.0033 0.0056 0.0936
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0058 0.0177 0.0875
Echinococcus multilocularis neuropeptide receptor 0.0065 0.0209 0.0209
Schistosoma mansoni neuropeptide receptor 0.0065 0.0209 0.3483
Echinococcus multilocularis G-protein coupled receptor, putative 0.0065 0.0209 0.0209
Trypanosoma brucei Aminopeptidase M1, putative 0.0033 0.0056 0.043
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0065 0.0209 0.3483
Echinococcus granulosus tm gpcr rhodopsin 0.0065 0.0209 0.0178
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0028 0.0032 0.0093
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0028 0.0032 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0065 0.0209 0.3119
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0146 0.06 1
Brugia malayi beta-lactamase family protein 0.0058 0.0177 0.255
Onchocerca volvulus 0.0058 0.0177 0.3556
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0146 0.06 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0203 0.3017
Loa Loa (eye worm) neuropeptide F receptor 0.0065 0.0209 0.3483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0065 0.0209 0.0209
Schistosoma mansoni hypothetical protein 0.0065 0.0209 0.3483
Echinococcus granulosus somatostatin receptor 0.0065 0.0209 0.0178
Schistosoma mansoni neuropeptide F-like receptor 0.0065 0.0209 0.3483
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0058 0.0177 0.255
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0083 0.0293 0.0855
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0033 0.0056 0.0164
Onchocerca volvulus 0.0065 0.0209 0.4349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0146 0.06 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0198 0.3296
Echinococcus granulosus neuropeptide receptor 0.0065 0.0209 0.0178
Echinococcus granulosus tachykinin peptides receptor 99D 0.0065 0.0209 0.0178
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0065 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Onchocerca volvulus 0.0065 0.0209 0.4349
Loa Loa (eye worm) phosphatidylinositol 3 0.0028 0.0032 0.0529
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0065 0.0209 0.3483
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0083 0.0293 0.0262
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0146 0.06 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.008 0.028 0.4658
Echinococcus granulosus neuropeptide Y receptor 0.0065 0.0209 0.0178
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0028 0.0032 0.0529
Onchocerca volvulus 0.0065 0.0209 0.4349
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0083 0.0293 0.4887
Schistosoma mansoni amine GPCR 0.0065 0.0209 0.3483
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0028 0.0032 0.0032
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0033 0.0056 0.0056
Echinococcus granulosus g protein coupled receptor 0.0065 0.0209 0.0178
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Mycobacterium tuberculosis Probable hydrolase 0.0058 0.0177 0.0875
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0032 0.0529
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Loa Loa (eye worm) RNA binding protein 0.0063 0.0198 0.3296
Brugia malayi larval opioid receptor 0.0065 0.0209 0.3119
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0033 0.0056 0.0056
Brugia malayi G protein-coupled receptor F59B2.13 0.0065 0.0209 0.3119
Trichomonas vaginalis penicillin-binding protein, putative 0.0058 0.0177 0.255
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0065 0.0209 0.3483
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0065 0.0209 0.0209
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2101 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0065 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0065 0.0209 0.0178
Echinococcus granulosus alpha 1A adrenergic receptor 0.0065 0.0209 0.0178
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0028 0.0032 0.5
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0064 0.0203 0.0172
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0033 0.0056 0.043
Mycobacterium ulcerans esterase/lipase LipP 0.0058 0.0177 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0158 0.2219
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Onchocerca volvulus 0.0113 0.0439 1
Echinococcus multilocularis orexin receptor type 2 0.0065 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0065 0.0209 0.0209
Schistosoma mansoni neuropeptide receptor 0.0065 0.0209 0.3483
Schistosoma mansoni neuropeptide receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0146 0.06 0.1609
Echinococcus multilocularis beta LACTamase domain containing family member 0.0058 0.0177 0.0177
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Leishmania major phosphatidylinositol 3-kinase, putative 0.0146 0.06 0.1609
Entamoeba histolytica protein kinase rad3, putative 0.0083 0.0293 0.4601
Onchocerca volvulus 0.0065 0.0209 0.4349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0146 0.06 0.06
Onchocerca volvulus Neuropeptide F receptor homolog 0.0065 0.0209 0.4349
Brugia malayi Serotonin receptor 0.0065 0.0209 0.3119
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Echinococcus multilocularis fmrfamide receptor 0.0065 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0065 0.0209 0.3119
Echinococcus multilocularis neuropeptides capa receptor 0.0065 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Brugia malayi Peptidase family M1 containing protein 0.0033 0.0056 0.043
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0065 0.0209 0.0209
Schistosoma mansoni biogenic amine receptor 0.0065 0.0209 0.3483
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0065 0.0209 0.3483
Echinococcus granulosus allatostatin A receptor 0.0065 0.0209 0.0178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0028 0.0032 0.0093
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0028 0.0032 0.0093
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0198 0.0198
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0033 0.0056 0.0025
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0146 0.06 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Trichomonas vaginalis D-aminoacylase, putative 0.0058 0.0177 0.255
Schistosoma mansoni neuropeptide f receptor 76f 0.0065 0.0209 0.3483
Schistosoma mansoni biogenic amine receptor 0.0065 0.0209 0.3483
Echinococcus granulosus g protein coupled receptor 0.0065 0.0209 0.0178
Echinococcus multilocularis neuropeptide FF receptor 2 0.0065 0.0209 0.0209
Echinococcus multilocularis neuropeptide Y receptor 0.0065 0.0209 0.0209
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0083 0.0293 0.4601
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0065 0.0209 0.3483
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0033 0.0056 0.0056
Echinococcus multilocularis g-protein coupled receptor 0.0065 0.0209 0.0209
Echinococcus granulosus rhodopsin orphan GPCR 0.0065 0.0209 0.0178
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0146 0.06 1
Onchocerca volvulus 0.0065 0.0209 0.4349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Brugia malayi follicle stimulating hormone receptor 0.0065 0.0209 0.3119
Toxoplasma gondii FATC domain-containing protein 0.0083 0.0293 0.4601
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0065 0.0209 0.3119
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0146 0.06 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Trypanosoma brucei hypothetical protein, conserved 0.0058 0.0177 0.255
Echinococcus multilocularis g protein coupled receptor 0.0065 0.0209 0.0209
Loa Loa (eye worm) phosphatidylinositol 3 0.0028 0.0032 0.0529
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Echinococcus multilocularis neuropeptide Y receptor 0.0065 0.0209 0.0209
Onchocerca volvulus 0.0065 0.0209 0.4349
Schistosoma mansoni neuropeptide F-like receptor 0.0065 0.0209 0.3483
Brugia malayi neuropeptide F receptor 0.0065 0.0209 0.3119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0033 0.0056 0.0056
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0028 0.0032 0.0529
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0146 0.06 0.175
Schistosoma mansoni hypothetical protein 0.0065 0.0209 0.3483
Brugia malayi neuropeptide F receptor 0.0065 0.0209 0.3119
Echinococcus granulosus rhodopsin orphan GPCR 0.0065 0.0209 0.0178
Loa Loa (eye worm) hypothetical protein 0.0028 0.0032 0.0529
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0146 0.06 0.175
Schistosoma mansoni amine GPCR 0.0065 0.0209 0.3483
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0033 0.0056 0.0056
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Brugia malayi putative neuropeptide receptor 0.0065 0.0209 0.3119
Trypanosoma cruzi hypothetical protein, conserved 0.0735 0.343 1
Mycobacterium tuberculosis Probable lipase LipD 0.0058 0.0177 0.0875
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0065 0.0209 0.3483
Mycobacterium ulcerans lipase LipD 0.0058 0.0177 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0058 0.0177 0.2944
Echinococcus multilocularis 0.0028 0.0032 0.0032
Mycobacterium tuberculosis Probable esterase LipL 0.0058 0.0177 0.0875
Loa Loa (eye worm) hypothetical protein 0.0058 0.0177 0.2944
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0198 0.3296
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Entamoeba histolytica aminopeptidase, putative 0.0033 0.0056 0.043
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0339 0.5399
Mycobacterium leprae conserved hypothetical protein 0.0058 0.0177 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0058 0.0177 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0083 0.0293 0.4601
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0198 0.3296
Echinococcus granulosus peptide allatostatin:somatostatin 0.0065 0.0209 0.0178
Onchocerca volvulus 0.0065 0.0209 0.4349
Echinococcus granulosus fmrfamide receptor 0.0065 0.0209 0.0178
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0028 0.0032 0.0093
Schistosoma mansoni biogenic amine (5HT) receptor 0.0065 0.0209 0.3483
Schistosoma mansoni myosin xvIII 0.0065 0.0209 0.3483
Onchocerca volvulus 0.0065 0.0209 0.4349
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0028 0.0032 0.0529
Brugia malayi hypothetical protein 0.0065 0.0209 0.3119
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0065 0.0209 0.0178
Brugia malayi AKH receptor 0.0065 0.0209 0.3119
Echinococcus granulosus rhodopsin orphan GPCR 0.0065 0.0209 0.0178
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0033 0.0056 0.0056
Brugia malayi hypothetical protein 0.0033 0.0056 0.043
Loa Loa (eye worm) phosphatidylinositol kinase 0.0028 0.0032 0.0529
Loa Loa (eye worm) hypothetical protein 0.0054 0.0158 0.2631
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0293 0.4601
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Trypanosoma brucei Aminopeptidase M1, putative 0.0033 0.0056 0.043
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Mycobacterium tuberculosis Conserved protein 0.0058 0.0177 0.0875
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Loa Loa (eye worm) phosphatidylinositol 3 0.0146 0.06 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0083 0.0293 0.0855
Echinococcus granulosus neuropeptides capa receptor 0.0065 0.0209 0.0178
Echinococcus granulosus neuropeptide FF receptor 2 0.0065 0.0209 0.0178
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0065 0.0209 0.0209
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0065 0.0209 0.0178
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0083 0.0293 0.4601
Schistosoma mansoni adenoreceptor 0.0065 0.0209 0.3483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Onchocerca volvulus 0.0065 0.0209 0.4349
Echinococcus granulosus tm gpcr rhodopsin 0.0065 0.0209 0.0178
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0033 0.0056 0.043
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0146 0.06 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0028 0.0032 0.0032
Loa Loa (eye worm) TYRA-2 protein 0.0065 0.0209 0.3483
Echinococcus multilocularis allatostatin A receptor 0.0065 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0146 0.06 0.1609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Echinococcus granulosus sex peptide receptor 0.0065 0.0209 0.0178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.0339 0.5399
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Brugia malayi G-protein coupled receptor 0.0065 0.0209 0.3119
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0028 0.0032 0.0093
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0293 0.4601
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Onchocerca volvulus 0.0065 0.0209 0.4349
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0065 0.0209 0.3483
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0092 0.0339 0.5399
Echinococcus granulosus tm gpcr rhodopsin 0.0065 0.0209 0.0178
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0033 0.0056 0.0025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0065 0.0209 0.0209
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0064 0.0203 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Brugia malayi TAR-binding protein 0.0063 0.0198 0.2921
Trichomonas vaginalis D-aminoacylase, putative 0.0058 0.0177 0.255
Trypanosoma cruzi aminopeptidase, putative 0.0033 0.0056 0.0164
Loa Loa (eye worm) G-protein coupled receptor 0.0065 0.0209 0.3483
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0033 0.0056 0.0936
Echinococcus multilocularis Zinc finger, PHD finger 0.0028 0.0032 0.0032
Echinococcus multilocularis serine protein kinase ATM 0.0083 0.0293 0.0293
Leishmania major hypothetical protein, conserved 0.0058 0.0177 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Schistosoma mansoni hypothetical protein 0.0064 0.0203 0.3386
Echinococcus multilocularis serotonin receptor 0.0065 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) neuropeptide F receptor 0.0065 0.0209 0.3483
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0065 0.0209 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Echinococcus granulosus neuropeptide receptor 0.0065 0.0209 0.0178
Echinococcus multilocularis sex peptide receptor 0.0065 0.0209 0.0209
Echinococcus multilocularis G protein coupled receptor 139 0.0065 0.0209 0.0209
Brugia malayi Dopamine receptor protein 1 0.0065 0.0209 0.3119
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0028 0.0032 0.0529
Onchocerca volvulus 0.0058 0.0177 0.3556
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0028 0.0032 0.0529
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0028 0.0032 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Onchocerca volvulus 0.0065 0.0209 0.4349
Echinococcus granulosus rhodopsin orphan GPCR 0.0065 0.0209 0.0178
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0028 0.0032 0.0093
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0065 0.0209 0.3483
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0033 0.0056 0.0936
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0065 0.0209 0.3483
Loa Loa (eye worm) hypothetical protein 0.0065 0.0209 0.3483
Echinococcus multilocularis fmrfamide receptor 0.0065 0.0209 0.0209
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0065 0.0209 0.3483
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0058 0.0177 0.2944
Trichomonas vaginalis penicillin-binding protein, putative 0.0058 0.0177 0.255
Schistosoma mansoni hypothetical protein 0.0065 0.0209 0.3483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.06 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0198 0.3296
Loa Loa (eye worm) hypothetical protein 0.0101 0.0383 0.6385

Activities

Activity type Activity value Assay description Source Reference
Antidiuretic activity (functional) = 113 mg Antidiuretic activity on water loaded, ethanol-anesthetized rat. ChEMBL. 3612693
Pressor activity (functional) = 1 mg Pressor activity on urethane-anesthetized, phenoxybenzamine-treated rat. ChEMBL. 3612693
Uterine activity (functional) = 2 mg Uterine activity was meseared in isolated rat uterus in solutions in the absence No Mg2+ 0.5 mM in vitro ChEMBL. 3612693
Uterine activity (functional) = 8 mg Uterine activity was meseared in isolated rat uterus in solutions in the presense Mg2+ 0.5 mM in vitro ChEMBL. 3612693

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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