Detailed information for compound 1175637

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2255.48 | Formula: C95H154F3N29O29S
  • H donors: 34 H acceptors: 29 LogP: -11.69 Rotable bonds: 100
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCCN)C)CCCNC(=N)N)CCC(=O)N)Cc1ccccc1)CO)[C@H](O)C)CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)Cc1ccccc1)CCCCNC(=O)C(F)(F)F)CC(=O)N)CCSC
  • InChi: 1S/C95H154F3N29O29S/c1-49(2)73(125-71(136)44-109-78(140)65(42-69(104)134)122-81(143)58(29-16-20-37-107-93(156)95(96,97)98)118-86(148)63(120-77(139)55(102)46-128)40-53-22-9-7-10-23-53)89(151)110-45-72(137)126-74(51(4)131)90(152)111-43-70(135)113-62(33-39-157-6)84(146)115-57(27-14-18-35-100)80(142)116-59(28-15-19-36-101)85(147)127-75(52(5)132)91(153)123-66(47-129)88(150)121-64(41-54-24-11-8-12-25-54)87(149)119-61(31-32-68(103)133)83(145)117-60(30-21-38-108-94(105)106)79(141)112-50(3)76(138)114-56(26-13-17-34-99)82(144)124-67(48-130)92(154)155/h7-12,22-25,49-52,55-67,73-75,128-132H,13-21,26-48,99-102H2,1-6H3,(H2,103,133)(H2,104,134)(H,107,156)(H,109,140)(H,110,151)(H,111,152)(H,112,141)(H,113,135)(H,114,138)(H,115,146)(H,116,142)(H,117,145)(H,118,148)(H,119,149)(H,120,139)(H,121,150)(H,122,143)(H,123,153)(H,124,144)(H,125,136)(H,126,137)(H,127,147)(H,154,155)(H4,105,106,108)/t50-,51+,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
  • InChiKey: HFVMZWBURLFTEJ-AMESULNGSA-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
Mus musculus neuropeptide S receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis neuropeptides capa receptor neuropeptide S receptor 1 371 aa 330 aa 19.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0032 0.0035 0.0011
Entamoeba histolytica hypothetical protein 0.0071 0.0595 0.5586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0658 0.1972
Echinococcus granulosus intermediate filament protein 0.0055 0.0364 0.0371
Echinococcus granulosus lamin 0.0055 0.0364 0.0371
Brugia malayi intermediate filament protein 0.0055 0.0364 0.1163
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1212 0.3634
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.1212 0.3634
Mycobacterium tuberculosis Conserved protein 0.0114 0.1212 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0035 0.0104
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.1212 0.1298
Loa Loa (eye worm) hypothetical protein 0.0031 0.0025 0.0085
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0057 0.0403 0.1319
Loa Loa (eye worm) bromodomain containing protein 0.0061 0.0457 0.1586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.039 0.1169
Echinococcus multilocularis zinc finger protein 0.0067 0.0546 0.057
Toxoplasma gondii target of rapamycin (TOR), putative 0.007 0.0588 0.2789
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0984 0.3145
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0117 0.1255 0.1346
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.0035 0.0119
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0984 0.3145
Mycobacterium tuberculosis Probable lipase LipD 0.0114 0.1212 0.0075
Brugia malayi RNA binding protein 0.0189 0.2284 0.73
Echinococcus granulosus zinc finger protein 0.0067 0.0546 0.057
Trichomonas vaginalis esterase, putative 0.0114 0.1212 0.3634
Echinococcus granulosus tar DNA binding protein 0.0189 0.2284 0.2471
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.757 0.8255
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0167 0.1968 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.039 0.1169
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0588 0.1763
Brugia malayi beta-lactamase family protein 0.0114 0.1212 0.3872
Schistosoma mansoni chromobox protein 0.0074 0.0637 0.067
Echinococcus granulosus histone acetyltransferase KAT2B 0.0147 0.1689 0.1821
Leishmania major hypothetical protein, conserved 0.005 0.0294 0.2199
Loa Loa (eye worm) hypothetical protein 0.0041 0.0173 0.0599
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0114 0.1212 0.0075
Echinococcus granulosus beta LACTamase domain containing family member 0.0114 0.1212 0.1298
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0588 0.1763
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0052 0.0329 0.1437
Brugia malayi Pre-SET motif family protein 0.0033 0.0054 0.0171
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0095 0.0935 1
Schistosoma mansoni lamin 0.0055 0.0364 0.0371
Schistosoma mansoni hypothetical protein 0.0067 0.054 0.0564
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.2879 1
Echinococcus multilocularis musashi 0.0055 0.0364 0.0371
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0032 0.0035 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0035 0.0104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0063 0.0489 0.1466
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1212 0.3634
Trichomonas vaginalis bromodomain-containing protein, putative 0.0052 0.0329 0.0987
Schistosoma mansoni hypothetical protein 0.0067 0.0542 0.0566
Echinococcus multilocularis chromobox protein 1 0.0074 0.0637 0.067
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0595 0.0624
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0114 0.1212 0.4208
Echinococcus granulosus tumor protein p63 0.0328 0.4274 0.4649
Loa Loa (eye worm) hypothetical protein 0.023 0.2876 0.9989
Trypanosoma cruzi target of rapamycin kinase 3 0.0075 0.0659 0.5302
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2284 0.2471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0658 0.1972
Echinococcus multilocularis beta LACTamase domain containing family member 0.0114 0.1212 0.1298
Loa Loa (eye worm) hypothetical protein 0.0098 0.0984 0.3418
Loa Loa (eye worm) hypothetical protein 0.0114 0.1212 0.4208
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0159 0.186 0.2008
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0167 0.1968 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0167 0.1968 1
Schistosoma mansoni bromodomain containing protein 0.021 0.2582 0.2798
Giardia lamblia GTOR 0.0095 0.0935 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0588 0.1763
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2284 0.2471
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.2284 0.73
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0588 0.1763
Brugia malayi acetyltransferase, GNAT family protein 0.0159 0.186 0.5946
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0848 0.0901
Loa Loa (eye worm) hypothetical protein 0.0114 0.1212 0.4208
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0173 0.0518
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0382 0.1145
Echinococcus multilocularis tar DNA binding protein 0.0189 0.2284 0.2471
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.757 0.8255
Plasmodium vivax hypothetical protein, conserved 0.0114 0.1212 0.6049
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0039 0.0143 0.092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0312 0.0935
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0114 0.1212 0.3872
Loa Loa (eye worm) RNA binding protein 0.0189 0.2284 0.7932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.046 0.1379
Trypanosoma cruzi ISWI complex protein 0.005 0.0294 0.2199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0035 0.0104
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0056 0.0375 0.0383
Schistosoma mansoni zinc finger protein 0.005 0.0294 0.0294
Schistosoma mansoni zinc finger protein 0.0067 0.0546 0.057
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0268 0.0266
Entamoeba histolytica hypothetical protein 0.0071 0.0595 0.5586
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.0035 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0935 0.2803
Loa Loa (eye worm) hypothetical protein 0.0089 0.0848 0.2946
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0025 0.0078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0658 0.1972
Schistosoma mansoni peptidase Clp (S14 family) 0.0167 0.1968 0.2126
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0312 0.0935
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0095 0.0935 0.2987
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0073 0.0631 0.0663
Echinococcus multilocularis microtubule associated protein 2 0.067 0.9165 1
Mycobacterium leprae conserved hypothetical protein 0.0114 0.1212 0.5166
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.1968 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0045 0.0227 0.0221
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0025 0.0085
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.054 0.1725
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0052 0.0329 0.0987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0737 0.2209
Brugia malayi Pre-SET motif family protein 0.0231 0.2879 0.9203
Schistosoma mansoni lamin 0.0055 0.0364 0.0371
Loa Loa (eye worm) hypothetical protein 0.0125 0.1368 0.4753
Leishmania major hypothetical protein, conserved 0.0114 0.1212 1
Brugia malayi PHD-finger family protein 0.0085 0.0795 0.2539
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0095 0.0935 0.7646
Trichomonas vaginalis penicillin-binding protein, putative 0.0114 0.1212 0.3634
Onchocerca volvulus 0.0114 0.1212 0.3547
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0052 0.0329 0.1437
Onchocerca volvulus 0.0114 0.1212 0.3547
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0117 0.1255 0.1346
Trypanosoma brucei hypothetical protein, conserved 0.0114 0.1212 1
Onchocerca volvulus 0.0055 0.0364 0.097
Loa Loa (eye worm) hypothetical protein 0.0114 0.1212 0.4208
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0167 0.1968 0.2126
Schistosoma mansoni chromobox protein 0.0074 0.0637 0.067
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0109 0.1146 0.4744
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0075 0.0659 0.5302
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2284 0.2471
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0036 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0054 0.0032
Schistosoma mansoni methyl-cpg binding protein mbd 0.0056 0.0375 0.0383
Echinococcus multilocularis chromobox protein 1 0.0074 0.0637 0.067
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0167 0.1968 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0382 0.1145
Loa Loa (eye worm) hypothetical protein 0.0054 0.035 0.1214
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0167 0.1968 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0198 0.2415 0.2615
Onchocerca volvulus 0.0262 0.3334 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0052 0.0329 0.0333
Onchocerca volvulus 0.0045 0.0227 0.0553
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0095 0.0935 0.7646
Loa Loa (eye worm) hypothetical protein 0.0067 0.054 0.1875
Brugia malayi hypothetical protein 0.0071 0.0595 0.1901
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0312 0.0935
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0054 0.0032
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.1968 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0032 0.0035 0.0011
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0198 0.2415 0.2615
Mycobacterium tuberculosis Probable lipase LipE 0.0114 0.1212 0.0075
Loa Loa (eye worm) hypothetical protein 0.0143 0.1621 0.563
Loa Loa (eye worm) phosphatidylinositol 3 0.0095 0.0935 0.3246
Schistosoma mansoni intermediate filament proteins 0.0055 0.0364 0.0371
Echinococcus granulosus histone lysine methyltransferase setb 0.0089 0.0848 0.0901
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0364 0.1264
Loa Loa (eye worm) hypothetical protein 0.0167 0.1968 0.6836
Entamoeba histolytica hypothetical protein 0.0071 0.0595 0.5586
Echinococcus granulosus chromobox protein 1 0.0074 0.0637 0.067
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0364 0.1163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0311 0.0932
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0167 0.1968 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0035 0.0104
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.757 0.8255
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0114 0.1212 0.1298
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0218 0.0653
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0035 0.0104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0658 0.1972
Brugia malayi Probable ClpP-like protease 0.0167 0.1968 0.6291
Loa Loa (eye worm) hypothetical protein 0.0032 0.0045 0.0155
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.0637 0.2211
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0159 0.186 0.2008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0658 0.1972
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0588 0.1763
Mycobacterium leprae Probable lipase LipE 0.0114 0.1212 0.5166
Loa Loa (eye worm) hypothetical protein 0.0136 0.1532 0.5321
Onchocerca volvulus 0.0114 0.1212 0.3547
Echinococcus granulosus neuropeptide s receptor 0.0558 0.757 0.8255
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0095 0.0935 0.7646
Toxoplasma gondii hypothetical protein 0.0057 0.0403 0.1825
Brugia malayi Heterochromatin protein 1 0.0074 0.0637 0.2035
Echinococcus granulosus microtubule associated protein 2 0.067 0.9165 1
Brugia malayi TAR-binding protein 0.0189 0.2284 0.73
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0167 0.1968 0.2126
Schistosoma mansoni hypothetical protein 0.0071 0.0595 0.0624
Loa Loa (eye worm) hypothetical protein 0.0114 0.1212 0.4208
Entamoeba histolytica hypothetical protein 0.0071 0.0595 0.5586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0311 0.0932
Loa Loa (eye worm) hypothetical protein 0.0055 0.0364 0.1264
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0045 0.0221 0.1582
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0595 0.0624
Onchocerca volvulus 0.0055 0.0364 0.097
Brugia malayi beta-lactamase family protein 0.0114 0.1212 0.3872
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2284 0.2471
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1212 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0056 0.0375 0.0383
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0025 0.0078
Mycobacterium tuberculosis Conserved protein 0.0114 0.1212 0.0075
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0095 0.0935 0.7646
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0114 0.1212 0.0075
Trichomonas vaginalis set domain proteins, putative 0.0262 0.3334 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0095 0.0935 0.7646
Echinococcus multilocularis lamin 0.0055 0.0364 0.0371
Schistosoma mansoni microtubule-associated protein tau 0.067 0.9165 1
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2284 0.2471
Loa Loa (eye worm) hypothetical protein 0.0048 0.0268 0.0929
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0095 0.0935 0.7646
Echinococcus granulosus lamin dm0 0.0055 0.0364 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0173 0.0518
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0057 0.0403 0.1825
Mycobacterium tuberculosis Probable esterase LipL 0.0114 0.1212 0.0075
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0075 0.0659 0.5302
Trypanosoma cruzi hypothetical protein, conserved 0.0114 0.1212 1
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0637 0.191
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0095 0.0935 0.0995
Echinococcus granulosus fetal alzheimer antigen falz 0.0073 0.0631 0.0663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.039 0.1169
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0588 0.1763
Trypanosoma brucei ISWI complex protein 0.005 0.0294 0.2199
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0984 0.3418
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0173 0.0389
Schistosoma mansoni methyl-cpg binding protein mbd 0.0056 0.0375 0.0383
Schistosoma mansoni hypothetical protein 0.005 0.0294 0.0294
Loa Loa (eye worm) acetyltransferase 0.0159 0.186 0.6461
Brugia malayi chromobox protein homolog 3 0.0041 0.0173 0.0551
Mycobacterium tuberculosis Probable hydrolase 0.0114 0.1212 0.0075
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0218 0.0525
Mycobacterium tuberculosis Conserved protein 0.0114 0.1212 0.0075
Brugia malayi beta-lactamase 0.0114 0.1212 0.3872
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0935 0.2803
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0095 0.0935 0.0995
Brugia malayi Bromodomain containing protein 0.0248 0.3128 1
Loa Loa (eye worm) TAR-binding protein 0.0189 0.2284 0.7932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0312 0.0935
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0073 0.0631 0.0663
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.0848 0.0901
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0167 0.1968 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0095 0.0935 1
Echinococcus multilocularis lamin dm0 0.0055 0.0364 0.0371
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.2284 0.7932
Trichomonas vaginalis PIKK family atypical protein kinase 0.007 0.0588 0.1763
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0167 0.1968 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.1212 0.4208
Loa Loa (eye worm) beta-lactamase 0.0114 0.1212 0.4208
Toxoplasma gondii ABC1 family protein 0.0114 0.1212 0.6049
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0364 0.1264
Echinococcus multilocularis peptidase Clp (S14 family) 0.0109 0.1146 0.1226
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0935 0.2803
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0218 0.0653
Loa Loa (eye worm) hypothetical protein 0.0114 0.1212 0.4208
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0311 0.0932
Brugia malayi Bromodomain containing protein 0.0128 0.1418 0.4533
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0114 0.1212 0.0075
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0167 0.1968 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0052 0.0329 0.1437
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0095 0.0935 0.0995
Loa Loa (eye worm) PHD-finger family protein 0.0067 0.0542 0.1882
Echinococcus granulosus chromobox protein 1 0.0074 0.0637 0.067
Echinococcus granulosus peptidase Clp S14 family 0.0109 0.1146 0.1226
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0595 0.0624
Trypanosoma cruzi ISWI complex protein 0.005 0.0294 0.2199
Onchocerca volvulus 0.0048 0.0268 0.0677
Echinococcus multilocularis tumor protein p63 0.0328 0.4274 0.4649
Trichomonas vaginalis chromobox protein, putative 0.0074 0.0637 0.191
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0089 0.0848 0.0901
Trichomonas vaginalis D-aminoacylase, putative 0.0114 0.1212 0.3634

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 7.07 Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR ChEMBL. 18793857
Emax (functional) = 231 % Agonist activity at mouse NPSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by FLIPR relative to baseline ChEMBL. 18793857

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.