Detailed information for compound 1745891

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 3596.14 | Formula: C172H256N44O41
  • H donors: 45 H acceptors: 42 LogP: -1.35 Rotable bonds: 140
    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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1C2CCCCC2C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccc2c(c1)cccc2)C)Cc1ccccc1)C(C)C)CC(=O)O)[C@H](O)C)C(C)C)Cc1ccc2c(c1)cccc2)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)C)Cc1cnc[nH]1)CCCNC(=O)N)CC(C)C)C)CC(C)C)CC(C)C)CO)CCCNC(=O)N)CO)CCCCNC(=N)N
  • InChi: 1S/C172H256N44O41/c1-86(2)64-116(193-132(224)81-186-144(230)94(17)190-151(237)117(65-87(3)4)199-149(235)113(51-37-61-182-171(178)256)195-155(241)122(74-108-78-180-85-189-108)204-168(254)142(97(20)220)214-166(252)139(92(13)14)210-158(244)121(192-98(21)221)72-107-77-184-110-48-31-30-47-109(107)110)153(239)200-118(66-88(5)6)154(240)207-126(84-218)160(246)196-114(52-38-62-183-172(179)257)150(236)206-125(83-217)146(232)187-79-131(223)185-80-133(225)208-137(90(9)10)165(251)211-138(91(11)12)164(250)197-112(50-34-36-60-181-170(176)177)147(233)194-111(49-33-35-59-173)148(234)202-123(75-130(174)222)156(242)201-120(71-101-56-58-103-43-26-28-45-105(103)68-101)157(243)212-140(93(15)16)169(255)215-63-39-54-128(215)161(247)213-141(96(19)219)167(253)205-124(76-135(227)228)159(245)209-136(89(7)8)163(249)188-82-134(226)216-127-53-32-29-46-106(127)73-129(216)162(248)203-119(69-99-40-23-22-24-41-99)152(238)191-95(18)145(231)198-115(143(175)229)70-100-55-57-102-42-25-27-44-104(102)67-100/h22-28,30-31,40-45,47-48,55-58,67-68,77-78,85-97,106,111-129,136-142,184,217-220H,29,32-39,46,49-54,59-66,69-76,79-84,173H2,1-21H3,(H2,174,222)(H2,175,229)(H,180,189)(H,185,223)(H,186,230)(H,187,232)(H,188,249)(H,190,237)(H,191,238)(H,192,221)(H,193,224)(H,194,233)(H,195,241)(H,196,246)(H,197,250)(H,198,231)(H,199,235)(H,200,239)(H,201,242)(H,202,234)(H,203,248)(H,204,254)(H,205,253)(H,206,236)(H,207,240)(H,208,225)(H,209,245)(H,210,244)(H,211,251)(H,212,243)(H,213,247)(H,214,252)(H,227,228)(H4,176,177,181)(H3,178,182,256)(H3,179,183,257)/t94-,95-,96+,97+,106?,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127?,128-,129-,136-,137-,138-,139-,140-,141-,142-/m0/s1
  • InChiKey: ZFUNKELREJJNGB-USSMKBLBSA-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
Homo sapiens calcitonin-related polypeptide beta 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone deacetylase 1 0.0851 0.1731 0.173
Trichomonas vaginalis histone deacetylase, putative 0.0851 0.1731 1
Leishmania major histone deacetylase, putative 0.0243 0.0458 0.2643
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0247 0.0245
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0028 0.0008 0.0006
Echinococcus multilocularis somatostatin receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis neuropeptide FF receptor 2 0.0137 0.0237 0.0235
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0053 0.006 0.0059
Schistosoma mansoni histone deacetylase 4 5 0.0243 0.0458 0.0456
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0053 0.006 0.0059
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0137 0.0237 0.0235
Echinococcus granulosus 7tm_1 domain containing protein 0.0137 0.0237 0.0235
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.063 0.1268 0.728
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi AKH receptor 0.0137 0.0237 0.0235
Schistosoma mansoni hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis g protein coupled receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis neuropeptides capa receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni histamine h1 receptor 0.0137 0.0237 0.0235
Schistosoma mansoni RAR-like nuclear receptor 0.0053 0.006 0.0059
Echinococcus granulosus neuropeptide receptor A26 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.006 0.0059
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.006 0.0059
Brugia malayi nuclear receptor NHR-88 0.0053 0.006 0.0059
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0137 0.0237 0.0235
Schistosoma mansoni histone deacetylase 0.0851 0.1731 0.173
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Echinococcus multilocularis neuropeptide Y receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.012 0.0118
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Echinococcus multilocularis fmrfamide receptor 0.0137 0.0237 0.0235
Schistosoma mansoni neuropeptide f receptor 76f 0.0137 0.0237 0.0235
Schistosoma mansoni thyroid hormone receptor 0.0053 0.006 0.0059
Echinococcus multilocularis neuropeptide receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Echinococcus granulosus histone deacetylase 6 0.0243 0.0458 0.0456
Schistosoma mansoni histone deacetylase 1 2 3 0.0243 0.0458 0.0456
Onchocerca volvulus 0.0137 0.0237 0.5157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0028 0.0008 0.0006
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) neuropeptide F receptor 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Echinococcus granulosus histone deacetylase 1 0.0851 0.1731 0.173
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0053 0.006 0.0059
Echinococcus granulosus histone deacetylase 6 0.0243 0.0458 0.0456
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0247 0.0245
Brugia malayi G-protein coupled receptor 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni amine GPCR 0.0137 0.0237 0.0235
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0137 0.0237 0.0235
Schistosoma mansoni neuropeptide F-like receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus fmrfamide receptor 0.0137 0.0237 0.0235
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0137 0.0237 0.0235
Brugia malayi G-protein coupled receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0137 0.0237 0.0235
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Brugia malayi follicle stimulating hormone receptor 0.0137 0.0237 0.0235
Schistosoma mansoni amine GPCR 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0028 0.0008 0.0006
Schistosoma mansoni hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0137 0.0237 0.0235
Plasmodium falciparum histone deacetylase 2 0.0243 0.0458 0.2643
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Trichomonas vaginalis histone deacetylase, putative 0.0851 0.1731 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0137 0.0237 0.0235
Brugia malayi Dopamine receptor 0.0137 0.0237 0.0235
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0137 0.0237 0.0235
Leishmania major histone deacetylase, putative 0.0851 0.1731 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Schistosoma mansoni steroid hormone receptor ad4bp 0.0053 0.006 0.0059
Echinococcus granulosus G protein coupled receptor 139 0.0137 0.0237 0.0235
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0053 0.006 0.0059
Echinococcus granulosus histone deacetylase 8 0.0243 0.0458 0.0456
Echinococcus multilocularis neuropeptides capa receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0137 0.0237 0.0235
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.4801 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0053 0.006 0.0059
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.063 0.1268 0.728
Loa Loa (eye worm) G-protein coupled receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) steroid hormone receptor 0.0053 0.006 0.0059
Giardia lamblia Fructose-bisphosphate aldolase 0.063 0.1268 0.728
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.006 0.0059
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0851 0.1731 0.173
Echinococcus granulosus alpha 1A adrenergic receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0137 0.0237 0.0235
Echinococcus granulosus hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0053 0.006 0.0059
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0053 0.006 0.0059
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Onchocerca volvulus Histone deacetylase 10 homolog 0.0243 0.0458 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Trypanosoma cruzi histone deacetylase, putative 0.0243 0.0458 0.2643
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0137 0.0237 0.5157
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis histone deacetylase 6 0.0243 0.0458 0.0456
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0053 0.006 0.0059
Echinococcus granulosus g-protein coupled receptor 0.0137 0.0237 0.0235
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Toxoplasma gondii histone deacetylase HDAC3 0.0851 0.1731 1
Brugia malayi histone deacetylase 1 (HD1) 0.0851 0.1731 0.173
Brugia malayi Steroid receptor seven-up type 2 0.0053 0.006 0.0059
Brugia malayi photoreceptor-specific nuclear receptor 0.0053 0.006 0.0059
Echinococcus multilocularis FTZ F1 alpha 0.0053 0.006 0.0059
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Loa Loa (eye worm) acetyltransferase 0.0142 0.0247 0.0245
Onchocerca volvulus 0.0053 0.006 0.1286
Echinococcus granulosus dro:myosuppressin receptor 0.0137 0.0237 0.0235
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Echinococcus multilocularis histone deacetylase 8 0.0243 0.0458 0.0456
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0247 0.0245
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0053 0.006 0.0059
Loa Loa (eye worm) G-protein coupled receptor 0.0137 0.0237 0.0235
Echinococcus granulosus somatostatin receptor 0.0137 0.0237 0.0235
Schistosoma mansoni amine GPCR 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0137 0.0237 0.0235
Brugia malayi histone deacetylase 11 0.0243 0.0458 0.0456
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0053 0.006 0.0059
Plasmodium falciparum histone deacetylase 1 0.0851 0.1731 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.006 0.0059
Brugia malayi larval opioid receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0137 0.0237 0.0235
Toxoplasma gondii histone deacetylase HDAC2 0.0851 0.1731 1
Echinococcus granulosus tm gpcr rhodopsin 0.0137 0.0237 0.0235
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0137 0.0237 0.0235
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.4801 1 1
Brugia malayi putative neuropeptide receptor 0.0137 0.0237 0.0235
Echinococcus granulosus neuropeptides capa receptor 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0053 0.006 0.0059
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Toxoplasma gondii histone deacetylase HDAC5 0.0243 0.0458 0.2483
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi Histone deacetylase 1 0.0851 0.1731 0.173
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis fmrfamide receptor 0.0137 0.0237 0.0235
Plasmodium vivax histone deacetylase, putative 0.0243 0.0458 0.2483
Echinococcus granulosus histone deacetylase 7 0.0243 0.0458 0.0456
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0137 0.0237 0.0235
Echinococcus multilocularis thyroid hormone receptor alpha 0.0053 0.006 0.0059
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0851 0.1731 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni amine GPCR 0.0137 0.0237 0.0235
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Echinococcus multilocularis neuropeptide receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0053 0.006 0.0059
Plasmodium falciparum histone deacetylase, putative 0.0243 0.0458 0.2643
Echinococcus granulosus g protein coupled receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis g protein coupled receptor 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus ecdysone induced protein 78C 0.0053 0.006 0.0059
Schistosoma mansoni adenoreceptor 0.0137 0.0237 0.0235
Brugia malayi putative neuropeptide receptor NPR1 0.0137 0.0237 0.0235
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Schistosoma mansoni histone deacetylase hda2 0.0243 0.0458 0.0456
Brugia malayi RE15519p 0.0137 0.0237 0.0235
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0053 0.006 0.0059
Echinococcus multilocularis g-protein coupled receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Echinococcus multilocularis histone deacetylase 0.0243 0.0458 0.0456
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.4801 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0053 0.006 0.1286
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0308 0.0594 0.5
Echinococcus granulosus orexin receptor type 2 0.0137 0.0237 0.0235
Echinococcus granulosus neuropeptide receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis histone deacetylase 3 0.0851 0.1731 0.173
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis histone deacetylase 6 0.0243 0.0458 0.0456
Brugia malayi Dopamine receptor protein 1 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0053 0.006 0.0059
Trichomonas vaginalis histone deacetylase, putative 0.0851 0.1731 1
Schistosoma mansoni opsin-like receptor 0.0137 0.0237 0.0235
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) TYRA-2 protein 0.0137 0.0237 0.0235
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0137 0.0237 0.0235
Echinococcus multilocularis neuropeptide s receptor 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0053 0.006 0.0059
Plasmodium vivax histone deacetylase, putative 0.0243 0.0458 0.2483
Schistosoma mansoni biogenic amine receptor 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0308 0.0594 1
Onchocerca volvulus 0.0137 0.0237 0.5157
Trypanosoma brucei histone deacetylase 1 0.0851 0.1731 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0137 0.0237 0.0235
Schistosoma mansoni biogenic amine (5HT) receptor 0.0137 0.0237 0.0235
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0037 0.0035
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Schistosoma mansoni neuropeptide receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Brugia malayi Serotonin receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.012 0.0118
Schistosoma mansoni histone deacetylase hda2 0.0243 0.0458 0.0456
Echinococcus granulosus biogenic amine 5HT receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0028 0.0008 0.0006
Echinococcus multilocularis orexin receptor type 2 0.0137 0.0237 0.0235
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0053 0.006 0.1286
Echinococcus multilocularis allatostatin A receptor 0.0137 0.0237 0.0235
Brugia malayi Histone deacetylase family protein 0.0243 0.0458 0.0456
Onchocerca volvulus 0.0137 0.0237 0.5157
Schistosoma mansoni nuclear hormone receptor 0.0053 0.006 0.0059
Echinococcus multilocularis histone deacetylase 7 0.0243 0.0458 0.0456
Loa Loa (eye worm) histone deacetylase 3 0.0851 0.1731 0.173
Echinococcus multilocularis dro:myosuppressin receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni neuropeptide receptor 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Entamoeba histolytica histone deacetylase, putative 0.0851 0.1731 1
Brugia malayi ORL1-like opioid receptor 0.0137 0.0237 0.0235
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0137 0.0237 0.0235
Schistosoma mansoni growth hormone secretagogue receptor 0.0137 0.0237 0.0235
Leishmania major histone deacetylase, putative 0.0851 0.1731 1
Loa Loa (eye worm) histone deacetylase 0.0243 0.0458 0.0456
Brugia malayi nuclear receptor RXR 0.0028 0.0008 0.0006
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0053 0.006 0.0059
Onchocerca volvulus 0.0137 0.0237 0.5157
Onchocerca volvulus 0.0137 0.0237 0.5157
Loa Loa (eye worm) hypothetical protein 0.0028 0.0008 0.0006
Echinococcus multilocularis histone deacetylase 6 0.0243 0.0458 0.0456
Loa Loa (eye worm) histone deacetylase 1 0.0851 0.1731 0.173
Echinococcus multilocularis neuropeptide receptor A26 0.0137 0.0237 0.0235
Brugia malayi G protein-coupled receptor 0.0137 0.0237 0.0235
Toxoplasma gondii histone deacetylase HDAC4 0.0243 0.0458 0.2483
Onchocerca volvulus 0.0082 0.012 0.2596
Brugia malayi nuclear hormone receptor 0.0053 0.006 0.0059
Schistosoma mansoni neuropeptide F-like receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Trypanosoma cruzi histone deacetylase 1, putative 0.0851 0.1731 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0137 0.0237 0.0235
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Plasmodium vivax histone deacetylase 1, putative 0.0851 0.1731 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0137 0.0237 0.0235
Echinococcus multilocularis sex peptide receptor 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0008 0.0006
Loa Loa (eye worm) hypothetical protein 0.0243 0.0458 0.0456
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0137 0.0237 0.0235
Echinococcus granulosus neuropeptides capa receptor 0.0137 0.0237 0.0235
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0082 0.012 0.0118
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Schistosoma mansoni biogenic amine (5HT) receptor 0.0137 0.0237 0.0235
Echinococcus granulosus g protein coupled receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0137 0.0237 0.0235
Echinococcus granulosus peptide allatostatin:somatostatin 0.0137 0.0237 0.0235
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0137 0.0237 0.0235
Treponema pallidum fructose-bisphosphate aldolase 0.063 0.1268 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0028 0.0008 0.0006
Trichomonas vaginalis histone deacetylase, putative 0.0851 0.1731 1
Echinococcus granulosus g protein coupled receptor 0.0137 0.0237 0.0235
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Echinococcus granulosus neuropeptide Y receptor 0.0137 0.0237 0.0235
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0008 0.0006
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0137 0.0237 0.0235
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni hypothetical protein 0.4801 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0053 0.006 0.0059
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0028 0.0008 0.0006
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni opsin-like receptor 0.0137 0.0237 0.0235
Schistosoma mansoni histone deacetylase 0.0851 0.1731 0.173
Onchocerca volvulus Protein ultraspiracle homolog 0.0053 0.006 0.1286
Brugia malayi Nuclear hormone receptor-like 1 0.0053 0.006 0.0059
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0851 0.1731 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0053 0.006 0.0059
Brugia malayi neuropeptide F receptor 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0053 0.006 0.0059
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.012 0.0118
Plasmodium vivax histone deacetylase 2, putative 0.0243 0.0458 0.2483
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.012 0.0118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0053 0.006 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0053 0.006 0.0059
Echinococcus granulosus allatostatin A receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Brugia malayi hypothetical protein 0.0028 0.0008 0.0006
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0137 0.0237 0.0235
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Toxoplasma gondii histone deacetylase HDAC1 0.0243 0.0458 0.2483
Onchocerca volvulus 0.0137 0.0237 0.5157
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0053 0.006 0.0059
Echinococcus granulosus histone deacetylase 0.0243 0.0458 0.0456
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Echinococcus multilocularis G-protein coupled receptor, putative 0.0137 0.0237 0.0235
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0053 0.006 0.0059
Onchocerca volvulus 0.0137 0.0237 0.5157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0053 0.006 0.0059
Echinococcus granulosus sex peptide receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0239 0.0237
Schistosoma mansoni retinoic acid receptor RXR 0.0053 0.006 0.0059
Giardia lamblia Histone deacetylase 0.0851 0.1731 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0008 0.0006
Brugia malayi Serotonin receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0053 0.006 0.0059
Loa Loa (eye worm) neuropeptide F receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis serotonin receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Schistosoma mansoni biogenic amine receptor 0.0137 0.0237 0.0235
Trypanosoma cruzi histone deacetylase 1, putative 0.0851 0.1731 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0053 0.006 0.0059
Brugia malayi hypothetical protein 0.0028 0.0008 0.0006
Brugia malayi steroid hormone receptor 0.0053 0.006 0.0059
Echinococcus multilocularis neuropeptide Y receptor 0.0137 0.0237 0.0235
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0053 0.006 0.0059
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0137 0.0237 0.0235
Echinococcus granulosus serotonin receptor 0.0137 0.0237 0.0235
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0028 0.0008 0.0006
Trypanosoma cruzi histone deacetylase, putative 0.0243 0.0458 0.2643
Schistosoma mansoni hypothetical protein 0.4801 1 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni neuropeptide receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0137 0.0237 0.0235
Echinococcus granulosus FTZ F1 alpha 0.0053 0.006 0.0059
Echinococcus granulosus neuropeptide s receptor 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Trichomonas vaginalis histone deacetylase, putative 0.0851 0.1731 1
Onchocerca volvulus 0.0137 0.0237 0.5157
Brugia malayi Tachykinin-like peptides receptor 99D 0.0137 0.0237 0.0235
Echinococcus multilocularis g protein coupled receptor 0.0137 0.0237 0.0235
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0137 0.0237 0.0235
Echinococcus multilocularis serotonin receptor 0.0137 0.0237 0.0235
Brugia malayi GnHR receptor homolog 0.0137 0.0237 0.0235
Schistosoma mansoni myosin xvIII 0.0137 0.0237 0.0235
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0053 0.006 0.0059
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Echinococcus multilocularis ecdysone induced protein 78C 0.0053 0.006 0.0059
Echinococcus granulosus neuropeptide Y receptor 0.0137 0.0237 0.0235
Schistosoma mansoni biogenic amine receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus neuropeptide receptor 0.0137 0.0237 0.0235
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0028 0.0008 0.0006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Schistosoma mansoni amine GPCR 0.0137 0.0237 0.0235
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi Histone deacetylase family protein 0.0243 0.0458 0.0456
Echinococcus multilocularis G protein coupled receptor 139 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0137 0.0237 0.0235
Echinococcus granulosus tachykinin peptides receptor 99D 0.0137 0.0237 0.0235
Schistosoma mansoni neuropeptide receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) histone deacetylase 11 0.0243 0.0458 0.0456
Trichomonas vaginalis histone deacetylase, putative 0.0851 0.1731 1
Schistosoma mansoni hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi histone deacetylase 3 (HD3) 0.0851 0.1731 0.173
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Schistosoma mansoni coup transcription factor 0.0053 0.006 0.0059
Brugia malayi sulfakinin receptor protein 0.0137 0.0237 0.0235
Brugia malayi G protein-coupled receptor F59B2.13 0.0137 0.0237 0.0235
Loa Loa (eye worm) histone deacetylase 7A 0.0243 0.0458 0.0456
Echinococcus granulosus tm gpcr rhodopsin 0.0137 0.0237 0.0235
Echinococcus granulosus histone deacetylase 6 0.0243 0.0458 0.0456
Brugia malayi neuropeptide F receptor 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus histone deacetylase 3 0.0851 0.1731 0.173
Schistosoma mansoni histone deacetylase 4 5 0.0243 0.0458 0.0456
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0137 0.0237 0.0235
Trypanosoma cruzi histone deacetylase, putative 0.0243 0.0458 0.2643
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0851 0.1731 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0137 0.0237 0.5157
Brugia malayi Melatonin receptor type 1A 0.0137 0.0237 0.0235
Schistosoma mansoni alpha-1 adrenergic receptor 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi hypothetical protein 0.0137 0.0237 0.0235
Trypanosoma cruzi histone deacetylase, putative 0.0243 0.0458 0.2643
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.063 0.1268 0.7268
Trypanosoma cruzi histone deacetylase, putative 0.0243 0.0458 0.2643
Schistosoma mansoni thyroid hormone receptor 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi ecdysteroid receptor 0.0053 0.006 0.0059
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.0059
Echinococcus granulosus 7TM GPCR rhodopsin 0.0137 0.0237 0.0235
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Brugia malayi Dopamine receptor protein 2 0.0137 0.0237 0.0235
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0308 0.0594 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0237 0.0235
Echinococcus granulosus tm gpcr rhodopsin 0.0137 0.0237 0.0235
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0237 0.0235
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0137 0.0237 0.0235
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.003 0.0171
Schistosoma mansoni opsin-like receptor 0.0137 0.0237 0.0235
Onchocerca volvulus 0.0137 0.0237 0.5157
Leishmania major histone deacetylase, putative 0.0243 0.0458 0.2643

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at human CGRP1 receptor in human SK-N-MC cells ChEMBL. 19053766
IC50 (functional) = 3.45 nM Antagonist activity at human CGRP1 receptor in human SK-N-MC cells assessed as effect on human alpha-CGRP-induced cAMP accumulation ChEMBL. 19053766

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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