Detailed information for compound 1184697

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 3070.33 | Formula: C136H205N41O41
  • H donors: 45 H acceptors: 43 LogP: -14.63 Rotable bonds: 125
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CC(C)C)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)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](Cc1c[nH]c2c1cccc2)NC(=O)CN)CC(C)C)CC(=O)N)CO)C)CC(C)C)CC(C)C)Cc1[nH]cnc1)C)Cc1[nH]cnc1)CCCNC(=N)N)CO)Cc1ccccc1)CO)CC(=O)O
  • InChi: 1S/C136H205N41O41/c1-64(2)38-83(162-119(201)85(40-66(5)6)163-121(203)87(43-74-31-33-78(183)34-32-74)158-104(188)55-148-112(194)69(11)154-129(211)96(59-178)172-125(207)94(49-102(141)186)167-120(202)86(41-67(7)8)170-134(216)110(71(13)181)175-128(210)89(156-103(187)51-138)44-75-52-147-80-27-19-18-26-79(75)80)114(196)151-58-107(191)177-37-23-30-99(177)132(214)169-90(45-76-53-144-62-152-76)118(200)155-70(12)113(195)174-109(68(9)10)133(215)150-57-106(190)159-93(48-101(140)185)124(206)165-91(46-77-54-145-63-153-77)123(205)161-82(29-22-36-146-136(142)143)117(199)171-97(60-179)130(212)164-88(42-73-24-16-15-17-25-73)122(204)173-98(61-180)131(213)168-95(50-108(192)193)126(208)160-81(28-20-21-35-137)116(198)166-92(47-100(139)184)115(197)149-56-105(189)157-84(39-65(3)4)127(209)176-111(72(14)182)135(217)218/h15-19,24-27,31-34,52-54,62-72,81-99,109-111,147,178-183H,20-23,28-30,35-51,55-61,137-138H2,1-14H3,(H2,139,184)(H2,140,185)(H2,141,186)(H,144,152)(H,145,153)(H,148,194)(H,149,197)(H,150,215)(H,151,196)(H,154,211)(H,155,200)(H,156,187)(H,157,189)(H,158,188)(H,159,190)(H,160,208)(H,161,205)(H,162,201)(H,163,203)(H,164,212)(H,165,206)(H,166,198)(H,167,202)(H,168,213)(H,169,214)(H,170,216)(H,171,199)(H,172,207)(H,173,204)(H,174,195)(H,175,210)(H,176,209)(H,192,193)(H,217,218)(H4,142,143,146)/t69-,70-,71+,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,109-,110-,111-/m0/s1
  • InChiKey: YWWOWEJNZKADMM-INAUZTMPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galanin receptor 1 Starlite/ChEMBL References
Homo sapiens galanin receptor 3 Starlite/ChEMBL References
Homo sapiens galanin receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04233 galanin receptor, invertebrate, putative Get druggable targets OG5_128775 All targets in OG5_128775
Echinococcus multilocularis allatostatin A receptor Get druggable targets OG5_128775 All targets in OG5_128775
Schistosoma mansoni peptide (allatostatin)-like receptor Get druggable targets OG5_128775 All targets in OG5_128775
Echinococcus granulosus allatostatin A receptor Get druggable targets OG5_128775 All targets in OG5_128775
Onchocerca volvulus Get druggable targets OG5_128775 All targets in OG5_128775
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128775 All targets in OG5_128775
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor galanin receptor 1 349 aa 381 aa 20.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0015 0.0281
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0011 0.0011
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0057 0.0057
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0071 0.1323
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0031 0.0053
Schistosoma mansoni chromobox protein 0.0077 0.0134 0.0859
Echinococcus granulosus geminin 0.0187 0.0364 0.0632
Mycobacterium leprae Probable lipase LipE 0.004 0.0057 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0031 0.0196
Echinococcus multilocularis GPCR, family 2 0.0018 0.0011 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0037 0.0702
Schistosoma mansoni hypothetical protein 0.0018 0.0011 0.007
Onchocerca volvulus 0.0595 0.1217 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0071 0.058
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0079 0.0506
Trichomonas vaginalis esterase, putative 0.004 0.0057 0.1063
Loa Loa (eye worm) choline O-acetyltransferase 0.0595 0.1217 0.1217
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0079 0.0137
Echinococcus multilocularis microtubule associated protein 2 0.0761 0.1563 0.2713
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0942 0.194 0.3367
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0086 0.0149
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0091 0.0091
Brugia malayi Heterochromatin protein 1 0.0077 0.0134 0.0134
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0015 0.0281
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.004 0.004
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0177 0.0343 0.2195
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0118 0.0205
Brugia malayi chromobox protein homolog 3 0.0043 0.0064 0.0064
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0041 0.0072
Schistosoma mansoni microtubule-associated protein tau 0.0761 0.1563 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0057 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0022 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0086 0.0548
Trypanosoma cruzi hypothetical protein, conserved 0.0595 0.1217 0.2098
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0045 0.424
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0015 0.0281
Echinococcus granulosus zinc finger protein 0.0024 0.0024 0.0041
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0064 0.0523
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0057 0.0082
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0058 0.0101
Loa Loa (eye worm) hypothetical protein 0.005 0.0078 0.0078
Mycobacterium ulcerans lipase LipD 0.004 0.0057 0.5
Leishmania major carnitine palmitoyltransferase-like protein 0.0942 0.194 0.3356
Brugia malayi beta-lactamase family protein 0.004 0.0057 0.0057
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0595 0.1217 0.6253
Loa Loa (eye worm) hypothetical protein 0.0046 0.007 0.007
Onchocerca volvulus 0.004 0.0057 0.0466
Brugia malayi beta-lactamase family protein 0.004 0.0057 0.0057
Mycobacterium leprae conserved hypothetical protein 0.004 0.0057 0.5
Schistosoma mansoni chromobox protein 0.0077 0.0134 0.0859
Schistosoma mansoni choline o-acyltransferase 0.0595 0.1217 0.7784
Schistosoma mansoni cpg binding protein 0.0036 0.0048 0.0308
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0011 0.0019
Schistosoma mansoni hypothetical protein 0.0187 0.0364 0.2329
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0117 0.0746
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0595 0.1217 0.2098
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0015 0.0015
Echinococcus granulosus chromobox protein 1 0.0077 0.0134 0.0233
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0057 0.1063
Toxoplasma gondii ABC1 family protein 0.004 0.0057 0.5285
Loa Loa (eye worm) hypothetical protein 0.0054 0.0086 0.0086
Echinococcus granulosus cpg binding protein 0.0036 0.0048 0.0084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0079 0.0506
Echinococcus multilocularis chromobox protein 1 0.0077 0.0134 0.0233
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0942 0.194 0.3356
Echinococcus granulosus GPCR family 2 0.0018 0.0011 0.0019
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0079 0.0137
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0079 0.0137
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0014 0.0024
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0595 0.1217 0.1217
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0016 0.0008 0.0151
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0057 0.0098
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.0465 0.0465
Brugia malayi PHD-finger family protein 0.003 0.0036 0.0036
Brugia malayi SET domain containing protein 0.0015 0.0004 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0047 0.0072 0.0459
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0057 0.5
Loa Loa (eye worm) CHromoDomain protein family member 0.0017 0.0008 0.0008
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0017 0.0008 0.0014
Schistosoma mansoni bromodomain containing protein 0.0073 0.0127 0.0809
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0595 0.1217 0.2098
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0057 0.0362
Schistosoma mansoni hypothetical protein 0.0018 0.0011 0.007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0015 0.0281
Trichomonas vaginalis set domain proteins, putative 0.0268 0.0533 1
Loa Loa (eye worm) hypothetical protein 0.008 0.014 0.014
Echinococcus multilocularis geminin 0.0187 0.0364 0.0632
Schistosoma mansoni hypothetical protein 0.0187 0.0364 0.2329
Plasmodium vivax hypothetical protein, conserved 0.004 0.0057 1
Echinococcus granulosus chromobox protein 1 0.0077 0.0134 0.0233
Schistosoma mansoni cpg binding protein 0.0032 0.004 0.0255
Onchocerca volvulus 0.004 0.0057 0.0466
Echinococcus granulosus microtubule associated protein 2 0.0761 0.1563 0.2713
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0064 0.1195
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0011 0.0011
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0595 0.1217 0.2098
Plasmodium vivax SET domain protein, putative 0.0034 0.0045 0.8022
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0071 0.1323
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0015 0.0281
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0086 0.0149
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0595 0.1217 0.6253
Onchocerca volvulus 0.0032 0.004 0.0328
Loa Loa (eye worm) hypothetical protein 0.0038 0.0054 0.0054
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi Bromodomain containing protein 0.0086 0.0154 0.0154
Schistosoma mansoni zinc finger protein 0.0024 0.0024 0.0151
Onchocerca volvulus 0.0047 0.0072 0.0589
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0057 0.1063
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0134 0.2519
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0017 0.0008 0.0053
Echinococcus granulosus Chromobox protein 3 0.0013 0.0000000029442 0.0000000051085
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0008 0.0151
Loa Loa (eye worm) hypothetical protein 0.0043 0.0064 0.0064
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0118 0.0205
Trypanosoma cruzi hypothetical protein, conserved 0.0595 0.1217 0.2098
Loa Loa (eye worm) hypothetical protein 0.0043 0.0064 0.0064
Brugia malayi CXXC zinc finger family protein 0.0032 0.004 0.004
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0595 0.1217 0.2098
Echinococcus multilocularis zinc finger protein 0.0024 0.0024 0.0041
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0015 0.0281
Loa Loa (eye worm) heterochromatin protein 1 0.0077 0.0134 0.0134
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0079 0.0079
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0057 0.1063
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Trichomonas vaginalis chromobox protein, putative 0.0077 0.0134 0.2519
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0016 0.0007 0.013
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.0255 0.0255
Mycobacterium ulcerans hypothetical protein 0.004 0.0057 0.5
Onchocerca volvulus 0.0013 0.0000000029442 0.00000002419
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0014 0.0089
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0079 0.0079
Leishmania major carnitine/choline acetyltransferase, putative 0.0595 0.1217 0.2098
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0942 0.194 0.194
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0057 0.0098
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0057 0.1063
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0037 0.0702
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0057 0.0082
Onchocerca volvulus Huntingtin homolog 0.0138 0.0262 0.2154
Loa Loa (eye worm) beta-lactamase 0.004 0.0057 0.0057
Echinococcus granulosus allatostatin A receptor 0.0177 0.0343 0.0596
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0011 0.0019
Onchocerca volvulus Huntingtin homolog 0.0138 0.0262 0.2154
Loa Loa (eye worm) hypothetical protein 0.0177 0.0343 0.0343
Loa Loa (eye worm) hypothetical protein 0.0138 0.0262 0.0262
Echinococcus multilocularis Chromobox protein 3 0.0013 0.0000000029442 0.0000000051085
Onchocerca volvulus 0.0595 0.1217 1
Schistosoma mansoni zinc finger protein 0.0017 0.001 0.0062
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0057 0.0243
Onchocerca volvulus 0.0034 0.0044 0.0364
Echinococcus granulosus dnaJ subfamily B 0.0451 0.0916 0.1589
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.0255 0.0255
Echinococcus multilocularis dnaJ subfamily B 0.0451 0.0916 0.1589
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0595 0.1217 0.1217
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2772 0.5763 1
Brugia malayi beta-lactamase 0.004 0.0057 0.0057
Onchocerca volvulus 0.0177 0.0343 0.282
Brugia malayi Choline O-acetyltransferase 0.0595 0.1217 0.1217
Schistosoma mansoni hypothetical protein 0.0018 0.0011 0.007
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0595 0.1217 0.6253
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0057 0.0362
Echinococcus granulosus choline O acetyltransferase 0.0595 0.1217 0.2112
Brugia malayi MH2 domain containing protein 0.0135 0.0255 0.0255
Brugia malayi CHD4 protein 0.0017 0.0008 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0595 0.1217 0.2098
Onchocerca volvulus 0.0595 0.1217 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0057 0.1063
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0091 0.0091
Mycobacterium ulcerans beta-lactamase 0.004 0.0057 0.5
Onchocerca volvulus 0.0268 0.0533 0.4379
Echinococcus multilocularis chromobox protein 1 0.0077 0.0134 0.0233
Onchocerca volvulus 0.0595 0.1217 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0942 0.194 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0011 0.0019
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0045 0.0291
Brugia malayi Choline O-acetyltransferase 0.0595 0.1217 0.1217
Schistosoma mansoni choline o-acyltransferase 0.0595 0.1217 0.7784
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0015 0.0281
Schistosoma mansoni hypothetical protein 0.0038 0.0054 0.0345
Schistosoma mansoni cpg binding protein 0.0036 0.0048 0.0308
Brugia malayi Pre-SET motif family protein 0.0235 0.0465 0.0465
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0011 0.0011
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0015 0.0281
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0014 0.0089
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0086 0.0548
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0014 0.0024
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0011 0.0019
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0031 0.0053
Schistosoma mansoni hypothetical protein 0.0017 0.001 0.0062
Onchocerca volvulus 0.004 0.0057 0.0466
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0045 0.0079
Brugia malayi Bromodomain containing protein 0.0043 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0138 0.0262 0.0262
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0034 0.0044 0.0044
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.2772 0.5763 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.2772 0.5763 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0942 0.194 0.194
Leishmania major hypothetical protein, conserved 0.004 0.0057 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0064 0.1195
Schistosoma mansoni hypothetical protein 0.0018 0.0011 0.007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0079 0.0137
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0942 0.194 0.3367
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0058 0.0101
Echinococcus multilocularis cpg binding protein 0.0036 0.0048 0.0084
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0017 0.0008 0.0014
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0595 0.1217 0.1217
Loa Loa (eye worm) hypothetical protein 0.0056 0.0091 0.0091
Schistosoma mansoni hypothetical protein 0.0451 0.0916 0.5859
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.2772 0.5763 1
Trypanosoma cruzi hypothetical protein, conserved 0.0595 0.1217 0.2098
Brugia malayi hypothetical protein 0.0138 0.0262 0.0262
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0079 0.0506
Schistosoma mansoni hypothetical protein 0.0023 0.0022 0.0143
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0107 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0595 0.1217 0.2098
Brugia malayi Pre-SET motif family protein 0.0034 0.0045 0.0045
Echinococcus multilocularis allatostatin A receptor 0.0177 0.0343 0.0596
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0054 0.0054
Trypanosoma brucei hypothetical protein, conserved 0.0595 0.1217 0.6253
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0091 0.0091
Echinococcus multilocularis choline O acetyltransferase 0.0595 0.1217 0.2112
Trypanosoma cruzi hypothetical protein, conserved 0.0595 0.1217 0.2098
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.2772 0.5763 1

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 0.4 nM Binding affinity to human GalR1 ChEMBL. 19053761
Kd (binding) = 2.3 nM Binding affinity to human GalR2 ChEMBL. 19053761
Kd (binding) = 69 nM Binding affinity to human GalR3 ChEMBL. 19053761

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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