Detailed information for compound 405968

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1259.41 | Formula: C55H78N12O18S2
  • H donors: 16 H acceptors: 18 LogP: -0.86 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 4
  • SMILES: CSCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N)CCC(=O)O)CC(C)C)C(C)C
  • InChi: 1S/C55H78N12O18S2/c1-27(2)20-36-51(81)64-37(21-29-6-10-31(68)11-7-29)52(82)61-34(15-17-45(75)76)49(79)65-39(23-41(56)70)54(84)67-46(28(3)4)55(85)58-24-42(71)59-35(18-19-86-5)50(80)63-38(22-30-8-12-32(69)13-9-30)53(83)66-40(47(57)77)25-87-26-43(72)60-33(48(78)62-36)14-16-44(73)74/h6-13,27-28,33-40,46,68-69H,14-26H2,1-5H3,(H2,56,70)(H2,57,77)(H,58,85)(H,59,71)(H,60,72)(H,61,82)(H,62,78)(H,63,80)(H,64,81)(H,65,79)(H,66,83)(H,67,84)(H,73,74)(H,75,76)/t33-,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1
  • InChiKey: BZLRZJFFHMIABH-AGEHIQCHSA-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 growth factor receptor-bound protein 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis growth factor receptor bound protein 2 Get druggable targets OG5_131257 All targets in OG5_131257
Loa Loa (eye worm) sex muscle abnormal protein 5 Get druggable targets OG5_131257 All targets in OG5_131257
Schistosoma mansoni growth factor receptor-bound protein Get druggable targets OG5_131257 All targets in OG5_131257
Schistosoma mansoni growth factor receptor-bound protein Get druggable targets OG5_131257 All targets in OG5_131257
Schistosoma japonicum Growth factor receptor-bound protein 2, putative Get druggable targets OG5_131257 All targets in OG5_131257
Brugia malayi Sex muscle abnormal protein 5 Get druggable targets OG5_131257 All targets in OG5_131257
Echinococcus granulosus growth factor receptor bound protein 2 Get druggable targets OG5_131257 All targets in OG5_131257
Schistosoma japonicum ko:K04364 growth factor receptor-binding protein 2, putative Get druggable targets OG5_131257 All targets in OG5_131257
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major hypothetical protein, conserved growth factor receptor-bound protein 2 217 aa 200 aa 23.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0077 0.0077
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.0102 0.0478
Echinococcus granulosus high affinity choline transporter 1 0.0308 0.0917 0.0917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Echinococcus multilocularis mitogen activated protein kinase 0.0169 0.0486 0.0486
Brugia malayi hypothetical protein 0.0032 0.0062 0.029
Brugia malayi MH2 domain containing protein 0.0106 0.0291 0.1368
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0077 0.0071
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0077 0.0071
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0077 0.1034
Onchocerca volvulus 0.0037 0.0077 0.0491
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0024 0.6786
Schistosoma mansoni transcription factor LCR-F1 0.0032 0.0062 0.0062
Echinococcus granulosus mitogen activated protein kinase 0.0169 0.0486 0.0486
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0077 0.0827
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0032 0.0062 0.0062
Onchocerca volvulus 0.0243 0.0716 1
Echinococcus granulosus Niemann Pick C1 protein 0.0087 0.0233 0.0233
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.324 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0077 0.0077
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.324 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0044 0.0038
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0365
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0044 0.0209
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0044 0.0318
Loa Loa (eye worm) transcription factor SMAD2 0.0106 0.0291 0.1368
Brugia malayi GH02984p 0.0308 0.0917 0.4317
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0044 0.0038
Trichomonas vaginalis esterase, putative 0.0037 0.0077 0.005
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0077 0.005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0021 0.0206
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0036 0.0075 0.0075
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0077 0.1034
Echinococcus granulosus solute carrier family 5 0.0034 0.0068 0.0068
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0066 0.0167 0.2214
Entamoeba histolytica DNA repair and recombination protein, putative 0.324 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0032 1
Brugia malayi hypothetical protein 0.0022 0.0032 0.0151
Mycobacterium tuberculosis Conserved protein 0.0037 0.0077 0.1034
Loa Loa (eye worm) hypothetical protein 0.0046 0.0105 0.0494
Onchocerca volvulus 0.0037 0.0077 0.0491
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0365
Schistosoma mansoni hypothetical protein 0.005 0.0116 0.0116
Echinococcus granulosus tyrosine protein kinase Lyn 0.0017 0.0016 0.0016
Toxoplasma gondii exonuclease III APE 0.0021 0.0028 0.0444
Brugia malayi latrophilin 2 splice variant baaae 0.003 0.0056 0.0266
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0365
Schistosoma mansoni sodium/solute symporter 0.0034 0.0068 0.0068
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0058 0.0058
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0021 0.0206
Echinococcus granulosus sterol regulatory element binding protein 0.0037 0.0079 0.0079
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0028 0.2991
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0044 0.0554
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Schistosoma mansoni hypothetical protein 0.0014 0.0006 0.0006
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.324 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0169 0.0486 0.048
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0032 0.0026
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0169 0.0486 0.048
Loa Loa (eye worm) hypothetical protein 0.0037 0.0079 0.0371
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0117 0.0324 0.4636
Brugia malayi Latrophilin receptor protein 2 0.0014 0.0006 0.0029
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0054 0.0054
Brugia malayi follicle stimulating hormone receptor 0.0246 0.0724 0.3406
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0034 0.0068 0.1291
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0028 0.0028
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0169 0.0486 0.048
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0024 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0044 0.0017
Schistosoma mansoni inositol transporter 0.0034 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0174 0.0502 0.0502
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0044 0.0318
Mycobacterium ulcerans beta-lactamase 0.0037 0.0077 0.0827
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0066 0.0167 0.2214
Brugia malayi Pre-SET motif family protein 0.0214 0.0625 0.2941
Echinococcus multilocularis mitogen activated protein kinase 11 0.0698 0.2125 0.2125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0108 0.0108
Echinococcus granulosus mitogen activated protein kinase 3 0.0169 0.0486 0.0486
Schistosoma mansoni survival motor neuron protein 0.005 0.0116 0.0116
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0077 0.1034
Schistosoma mansoni ap endonuclease 0.0021 0.0028 0.0028
Echinococcus multilocularis mitogen activated protein kinase 14 0.0698 0.2125 0.2125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0108 0.0108
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0028 0.5
Toxoplasma gondii ABC1 family protein 0.0037 0.0077 0.1484
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0108 0.051
Schistosoma mansoni hypothetical protein 0.0014 0.0006 0.0006
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0077 0.005
Echinococcus multilocularis high affinity choline transporter 1 0.0308 0.0917 0.0917
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0034 0.0068 0.0068
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0169 0.0486 0.048
Loa Loa (eye worm) hypothetical protein 0.0026 0.0044 0.0209
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0058 0.0058
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0077 0.0365
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0032 0.0539
Brugia malayi beta-lactamase 0.0037 0.0077 0.0365
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0077 0.0827
Echinococcus multilocularis protein patched 0.0037 0.0079 0.0079
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0014 0.0006 0.0006
Treponema pallidum hypothetical protein 0.0046 0.0106 0.0837
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0032 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0044 0.0554
Echinococcus granulosus Protein patched homolog 1 0.0037 0.0079 0.0079
Loa Loa (eye worm) MH2 domain-containing protein 0.0106 0.0291 0.1368
Loa Loa (eye worm) hypothetical protein 0.0034 0.0068 0.0321
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0077 0.0077
Mycobacterium ulcerans lipase LipD 0.0037 0.0077 0.0827
Loa Loa (eye worm) hypothetical protein 0.0044 0.01 0.047
Echinococcus granulosus Niemann Pick C1 protein 0.0125 0.0349 0.0349
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0024 0.0255
Loa Loa (eye worm) hypothetical protein 0.003 0.0056 0.0266
Schistosoma mansoni hypothetical protein 0.003 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.002 0.0024 0.0112
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0032 0.363
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0044 0.0318
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0116 0.0548
Loa Loa (eye worm) hypothetical protein 0.0243 0.0715 0.3366
Brugia malayi beta-lactamase family protein 0.0037 0.0077 0.0365
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0117 0.0324 0.4636
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 0.01 0.047
Echinococcus multilocularis sterol regulatory element binding protein 0.0037 0.0079 0.0079
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0028 0.013
Onchocerca volvulus 0.0031 0.0058 0.02
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.0625 0.2941
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0014 0.0006 0.0006
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0077 0.0365
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0163 0.0468 0.6703
Giardia lamblia Fructose-bisphosphate aldolase 0.0324 0.0968 0.0943
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.0715 0.0715
Loa Loa (eye worm) hypothetical protein 0.002 0.0024 0.0112
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.0715 0.0715
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0014 0.0006 0.0006
Mycobacterium ulcerans hypothetical protein 0.0026 0.0044 0.0318
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0028 0.013
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0108 0.051
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0014 0.0006 0.0006
Echinococcus multilocularis mitogen activated protein kinase 11 0.0698 0.2125 0.2125
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0014 0.0006 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Loa Loa (eye worm) hypothetical protein 0.0026 0.0044 0.0209
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0044 0.0318
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0169 0.0486 0.048
Loa Loa (eye worm) hypothetical protein 0.0308 0.0917 0.4317
Echinococcus granulosus sodium:myo inositol cotransporter 0.0034 0.0068 0.0068
Plasmodium vivax SET domain protein, putative 0.0031 0.0058 0.7249
Schistosoma mansoni hypothetical protein 0.0036 0.0075 0.0075
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.002 0.0024 0.0112
Trichomonas vaginalis CMGC family protein kinase 0.0169 0.0486 0.0459
Echinococcus multilocularis growth factor receptor bound protein 2 0.0152 0.0434 0.0434
Brugia malayi hypothetical protein 0.0014 0.0008 0.0036
Schistosoma mansoni growth factor receptor-bound protein 0.0152 0.0434 0.0434
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0108 0.0108
Mycobacterium tuberculosis Conserved protein 0.0037 0.0077 0.1034
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0117 0.0324 0.4621
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0169 0.0486 0.2286
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.0486 0.0486
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0158 0.0454 0.6632
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0152 0.0434 0.2041
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.324 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0028 0.0021
Mycobacterium ulcerans hypothetical protein 0.0037 0.0077 0.0827
Loa Loa (eye worm) beta-lactamase 0.0037 0.0077 0.0365
Echinococcus multilocularis Niemann Pick C1 protein 0.0087 0.0233 0.0233
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0044 0.0017
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0014 0.0006 0.0029
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0044 0.0209
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0089 0.0237 0.0237
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0037 0.0079 0.0371
Echinococcus multilocularis expressed conserved protein 0.0082 0.0217 0.0217
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.09 0.2751 0.2751
Brugia malayi beta-lactamase family protein 0.0037 0.0077 0.0365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0108 0.0108
Loa Loa (eye worm) latrophilin receptor protein 2 0.0014 0.0006 0.0029
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0158 0.0454 0.6501
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0077 0.1034
Loa Loa (eye worm) hypothetical protein 0.0014 0.0006 0.0029
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0169 0.0486 1
Giardia lamblia Rrm3p helicase 0.324 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0044 0.0318
Loa Loa (eye worm) isocitrate dehydrogenase 0.0014 0.0006 0.003
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0058 0.0058
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0021 0.0206
Loa Loa (eye worm) hypothetical protein 0.002 0.0024 0.0112
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0014 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0014 0.0006 0.0006
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Echinococcus granulosus sodium:glucose cotransporter 0.0034 0.0068 0.0068
Onchocerca volvulus 0.0037 0.0077 0.0491
Schistosoma mansoni hypothetical protein 0.324 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0044 0.0318
Schistosoma mansoni inositol transporter 0.0034 0.0068 0.0068
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0028 0.0021
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.324 1 1
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0229 0.0672 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0169 0.0486 0.048
Echinococcus granulosus GPCR family 2 0.0014 0.0006 0.0006
Brugia malayi Pre-SET motif family protein 0.0031 0.0058 0.0272
Echinococcus granulosus mitogen activated protein kinase 11 0.0698 0.2125 0.2125
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0163 0.0468 0.6847
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0365
Trichomonas vaginalis set domain proteins, putative 0.0243 0.0716 0.0691
Schistosoma mansoni hypothetical protein 0.0174 0.0502 0.0502
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0032 0.0026
Echinococcus multilocularis Niemann Pick C1 protein 0.0125 0.0349 0.0349
Echinococcus granulosus mitogen activated protein kinase 14 0.0698 0.2125 0.2125
Trichomonas vaginalis CMGC family protein kinase 0.0169 0.0486 0.0459
Entamoeba histolytica hypothetical protein 0.0032 0.0062 0.0034
Mycobacterium tuberculosis Conserved protein 0.0037 0.0077 0.1034
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0028 0.0309
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0365
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.324 1 1
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0346 0.1034 0.1009
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0058 0.1076
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0021 0.0206
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0077 0.005
Loa Loa (eye worm) hypothetical protein 0.0036 0.0074 0.0348
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0102 0.028 0.3956
Brugia malayi P38 map kinase family protein 2 0.0698 0.2125 1
Echinococcus granulosus geminin 0.0174 0.0502 0.0502
Loa Loa (eye worm) hypothetical protein 0.0037 0.0077 0.0365
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0246 0.0724 0.3406
Brugia malayi isocitrate dehydrogenase 0.0014 0.0006 0.003
Schistosoma mansoni hypothetical protein 0.0036 0.0075 0.0075
Trypanosoma brucei protein kinase, putative 0.0169 0.0486 0.048
Treponema pallidum hypothetical protein 0.0056 0.0137 0.1163
Brugia malayi hypothetical protein 0.0243 0.0715 0.3366
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0077 0.0807
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.01 0.047
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0077 0.1034
Loa Loa (eye worm) hypothetical protein 0.0026 0.0044 0.0209
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0058 0.0058
Loa Loa (eye worm) DEAH box polypeptide 35 0.0036 0.0074 0.0348
Trichomonas vaginalis conserved hypothetical protein 0.324 1 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0044 0.0209
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0163 0.0468 0.6847
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0077 0.1034
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0028 0.0021
Schistosoma mansoni high-affinity choline transporter 0.0308 0.0917 0.0917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Mycobacterium ulcerans hypothetical protein 0.0056 0.0137 0.1745
Trichomonas vaginalis aldehyde oxidase, putative 0.0346 0.1034 0.1009
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0044 0.0318
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0044 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0079 0.0051
Entamoeba histolytica hypothetical protein 0.0032 0.0062 0.0034
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0077 1
Brugia malayi MAP kinase sur-1 0.0169 0.0486 0.2286
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0032 0.0062 0.0062
Brugia malayi Isocitrate dehydrogenase 0.0014 0.0006 0.003
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0014 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0032 0.0062 0.0062
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.0968 0.0943
Echinococcus multilocularis geminin 0.0174 0.0502 0.0502
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0077 0.0071
Mycobacterium leprae Probable lipase LipE 0.0037 0.0077 0.0807
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0077 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0058 0.0058
Echinococcus multilocularis GPCR, family 2 0.0014 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0031 0.0058 0.0272
Entamoeba histolytica hypothetical protein 0.0032 0.0062 0.0034
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0028 0.0021
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0698 0.2125 1
Giardia lamblia Kinase, CMGC MAPK 0.0169 0.0486 0.0459
Schistosoma mansoni hypothetical protein 0.0036 0.0075 0.0075
Trichomonas vaginalis CMGC family protein kinase 0.0169 0.0486 0.0459
Treponema pallidum fructose-bisphosphate aldolase 0.0324 0.0968 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0698 0.2125 0.2125
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0032 0.0026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0108 0.0108
Schistosoma mansoni patched 1 0.0037 0.0079 0.0079
Treponema pallidum quinoline 2-oxidoreductase 0.0055 0.0133 0.112
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0108 0.0108
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0698 0.2125 0.212
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.0695 1
Leishmania major hypothetical protein, conserved 0.0022 0.0032 0.0026
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0034 0.0068 0.0068
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.324 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0058 0.0058
Echinococcus multilocularis mitogen activated protein kinase 3 0.0169 0.0486 0.0486
Schistosoma mansoni ap endonuclease 0.0021 0.0028 0.0028
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.01 0.047
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0158 0.0454 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.324 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0077 0.005
Brugia malayi Sodium:solute symporter family protein 0.0034 0.0068 0.0321
Brugia malayi CHE-14 protein 0.0037 0.0079 0.0371
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (small chain) 0.0066 0.0167 0.2339
Entamoeba histolytica hypothetical protein, conserved 0.324 1 1
Brugia malayi Probable ATP-dependent helicase DHX35 0.0036 0.0074 0.0348
Onchocerca volvulus 0.005 0.0116 0.107
Schistosoma mansoni growth factor receptor-bound protein 0.0152 0.0434 0.0434
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0028 0.8239
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0087 0.0233 0.0206
Loa Loa (eye worm) hypothetical protein 0.0087 0.0233 0.1098
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0077 0.1034
Echinococcus granulosus expressed conserved protein 0.0082 0.0217 0.0217
Entamoeba histolytica hypothetical protein 0.0032 0.0062 0.0034
Brugia malayi Sex muscle abnormal protein 5 0.0152 0.0434 0.2041
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0014 0.0006 0.0006
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0034 0.0068 0.0068
Leishmania major hypothetical protein, conserved 0.0037 0.0077 0.0071
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0028 0.0058
Echinococcus multilocularis isocitrate dehydrogenase 0.0014 0.0006 0.0006
Brugia malayi Cytochrome P450 family protein 0.0045 0.0102 0.0478
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0014 0.0006 0.0006
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0698 0.2125 0.212
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0044 0.0038
Schistosoma mansoni hypothetical protein 0.0014 0.0006 0.0006
Echinococcus multilocularis solute carrier family 5 0.0034 0.0068 0.0068
Echinococcus multilocularis protein dispatched 1 0.0043 0.0095 0.0095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0058 0.0058
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0169 0.0486 0.048
Echinococcus granulosus sodium:glucose cotransporter 2 0.0034 0.0068 0.0068
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0034 0.0068 0.0068
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0698 0.2125 0.212
Loa Loa (eye worm) hypothetical protein 0.002 0.0024 0.0112
Onchocerca volvulus 0.0034 0.0068 0.0353
Brugia malayi Niemann-Pick C1 protein precursor 0.0087 0.0233 0.1098
Echinococcus granulosus growth factor receptor bound protein 2 0.0152 0.0434 0.0434
Trichomonas vaginalis CMGC family protein kinase 0.0169 0.0486 0.0459
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0698 0.2125 0.212
Loa Loa (eye worm) hypothetical protein 0.0022 0.0032 0.0151
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0014 0.0006 0.0006
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0024 0.2463
Trichomonas vaginalis xanthine dehydrogenase, putative 0.0346 0.1034 0.1009

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay ChEMBL. 19362470
IC50 (binding) = 20 uM Inhibitory activity of the compound against Growth factor receptor bound protein 2 using ELISA assay ChEMBL. 12798329
IC50 (binding) > 100 uM Binding affinity against Growth factor receptor bound protein 2 using ELISA assay ChEMBL. 12798329
IC50 (binding) > 100000 uM Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA ChEMBL. 12617916
IC50 (binding) > 100000 uM Inhibition of Growth factor receptor-bound protein 2 (Grb2) SH2 domain binding by ELISA ChEMBL. 12617916
Kd (binding) = 25 uM Binding affinity to GST-tagged recombinant Grb2 SH2 domain by Biacore assay ChEMBL. 19362470

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

3 literature references were collected for this gene.

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