Detailed information for compound 445510

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1663.73 | Formula: C84H90F4N20O13
  • H donors: 6 H acceptors: 14 LogP: 5.98 Rotable bonds: 50
    Rule of 5 violations (Lipinski): 4
  • SMILES: CCOC(=O)c1cn(Cc2c(F)cccc2F)c2n(c1=O)c(CN(Cc1ccccc1)CC(=O)NCc1nnn(c1)CCOCCOCCOCCn1nnc(c1)CNC(=O)CN(Cc1c(nc3n1c(=O)c(cn3Cc1c(F)cccc1F)C(=O)OCC)c1ccc(cc1)NC(=O)NCC)Cc1ccccc1)c(n2)c1ccc(cc1)NC(=O)NCC
  • InChi: 1S/C84H90F4N20O13/c1-5-89-81(115)93-59-29-25-57(26-30-59)75-71(107-77(111)65(79(113)120-7-3)49-103(83(107)95-75)47-63-67(85)21-15-22-68(63)86)51-101(43-55-17-11-9-12-18-55)53-73(109)91-41-61-45-105(99-97-61)33-35-117-37-39-119-40-38-118-36-34-106-46-62(98-100-106)42-92-74(110)54-102(44-56-19-13-10-14-20-56)52-72-76(58-27-31-60(32-28-58)94-82(116)90-6-2)96-84-104(48-64-69(87)23-16-24-70(64)88)50-66(78(112)108(72)84)80(114)121-8-4/h9-32,45-46,49-50H,5-8,33-44,47-48,51-54H2,1-4H3,(H,91,109)(H,92,110)(H2,89,93,115)(H2,90,94,116)
  • InChiKey: KFWXURTYWIRTAX-UHFFFAOYSA-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 gonadotropin-releasing hormone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GnHR receptor homolog Get druggable targets OG5_131719 All targets in OG5_131719
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0153 0.0545 0.0545
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0071 0.0071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0071 0.0071
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Onchocerca volvulus 0.0086 0.024 0.0423
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0199 0.0199
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0071 0.0071
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0096 0.0284 0.0266
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Trypanosoma cruzi hypothetical protein, conserved 0.0295 0.1194 1
Trichomonas vaginalis pten, drome, putative 0.0086 0.024 0.0101
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0069 0.0164 0.0164
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0086 0.024 0.0221
Onchocerca volvulus 0.0086 0.024 0.0423
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0086 0.024 0.0221
Onchocerca volvulus 0.0086 0.024 0.0423
Leishmania major hypothetical protein, conserved 0.0295 0.1194 1
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0199 0.1547
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0096 0.0284 0.0284
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.012 0.0101
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0662 0.287 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0096 0.0284 0.0284
Brugia malayi hypothetical protein 0.004 0.0029 0.0029
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0069 0.0164 0.0164
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.0909 0.0892
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0956 0.4217 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.012 0.012
Loa Loa (eye worm) protein-tyrosine phosphatase 0.2222 1 1
Onchocerca volvulus 0.0086 0.024 0.0423
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0086 0.024 0.0503
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0956 0.4217 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0017 0.0017
Onchocerca volvulus 0.0086 0.024 0.0423
Brugia malayi hypothetical protein 0.0086 0.024 0.024
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0086 0.024 0.0221
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0086 0.024 0.024
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0086 0.024 0.024
Brugia malayi Protein-tyrosine phosphatase 0.0086 0.024 0.024
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0096 0.0284 0.0266
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0077 0.0199 0.0199
Loa Loa (eye worm) beta-lactamase 0.0077 0.0199 0.0199
Onchocerca volvulus 0.0086 0.024 0.0423
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0199 0.0199
Schistosoma mansoni survival motor neuron protein 0.0047 0.0064 0.0064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.0474 0.0474
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.0954 0.0954
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0077 0.0199 0.0638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.0474 0.0455
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0096 0.0284 0.0266
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0096 0.0284 0.0284
Brugia malayi Protein-tyrosine phosphatase 1 0.0086 0.024 0.024
Echinococcus multilocularis hypothetical protein 0.0086 0.024 0.0221
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0277 1
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.0199 0.0192
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0077 0.0199 0.0638
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0295 0.1194 1
Trypanosoma cruzi hypothetical protein, conserved 0.0295 0.1194 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0086 0.024 0.024
Brugia malayi beta-lactamase 0.0077 0.0199 0.0199
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0956 0.4217 1
Onchocerca volvulus 0.0086 0.024 0.0423
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Brugia malayi endonuclease G, mitochondrial precursor 0.0042 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0077 0.0199 0.0199
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0086 0.024 0.024
Brugia malayi hypothetical protein 0.0086 0.024 0.024
Mycobacterium tuberculosis Conserved protein 0.0077 0.0199 0.0638
Echinococcus granulosus protein tyrosine phosphatase n9 0.0086 0.024 0.0221
Leishmania major hypothetical protein, conserved 0.0077 0.0199 0.1547
Onchocerca volvulus 0.0086 0.024 0.0423
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Mycobacterium tuberculosis Conserved protein 0.0077 0.0199 0.0638
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0042 0.0037 0.0174
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0086 0.024 0.0503
Schistosoma mansoni hypothetical protein 0.0047 0.0064 0.0064
Mycobacterium tuberculosis Probable esterase LipL 0.0077 0.0199 0.0638
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.0234 0.4469
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.012 0.0877
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0086 0.024 0.1892
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.012 0.5672
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0086 0.024 0.1892
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0199 0.0199
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Onchocerca volvulus 0.0086 0.024 0.0423
Onchocerca volvulus 0.0086 0.024 0.0423
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0042 0.0037 0.0174
Brugia malayi beta-lactamase family protein 0.0077 0.0199 0.0199
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.0114 0.0095
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.0474 0.0455
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0086 0.024 0.0221
Trypanosoma brucei endonuclease G, putative 0.0042 0.0037 0.0174
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0086 0.024 0.0221
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.012 0.012
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0149 0.053 0.053
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Loa Loa (eye worm) hypothetical protein 0.0069 0.0164 0.0164
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0199 0.018
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0295 0.1194 0.2478
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0153 0.0545 0.0545
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Loa Loa (eye worm) hypothetical protein 0.0058 0.0114 0.0114
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0234 0.076
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0077 0.0199 0.0199
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0956 0.4217 1
Brugia malayi hypothetical protein 0.0232 0.0909 0.0909
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0096 0.0284 0.0266
Loa Loa (eye worm) hypothetical protein 0.0077 0.0199 0.0199
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0086 0.024 0.024
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0086 0.024 0.024
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Trypanosoma brucei protein tyrosine phosphatase 1 0.0086 0.024 0.1892
Onchocerca volvulus 0.0086 0.024 0.0423
Brugia malayi follicle stimulating hormone receptor 0.0242 0.0954 0.0954
Trypanosoma brucei endonuclease G, putative 0.0042 0.0037 0.0174
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Loa Loa (eye worm) glutathione reductase 0.0037 0.0017 0.0017
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0096 0.0284 0.0266
Brugia malayi hypothetical protein 0.0086 0.024 0.024
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Schistosoma mansoni protein tyrosine phosphatase 0.0096 0.0284 0.0284
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0086 0.024 0.1892
Trypanosoma brucei endonuclease G, putative 0.0042 0.0037 0.0174
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Echinococcus multilocularis ectonucleotide 0.0058 0.0114 0.0095
Onchocerca volvulus 0.0956 0.4217 1
Echinococcus multilocularis Endonuclease G 0.0042 0.0037 0.0018
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0086 0.024 0.024
Mycobacterium ulcerans hypothetical protein 0.0077 0.0199 0.0192
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0086 0.024 0.024
Brugia malayi glutathione reductase 0.0037 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0956 0.4217 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0199 0.018
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0077 0.0199 0.0199
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0086 0.024 0.1892
Plasmodium falciparum glutathione reductase 0.0037 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0238 0.0937 0.0937
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0234 0.076
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.012 0.0101
Brugia malayi Protein-tyrosine phosphatase 0.0248 0.0982 0.0982
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Leishmania major endonuclease G, putative 0.0042 0.0037 0.0174
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0956 0.4217 1
Onchocerca volvulus 0.0149 0.053 0.1121
Brugia malayi hypothetical protein 0.0086 0.024 0.024
Plasmodium falciparum thioredoxin reductase 0.0037 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0077 0.0199 0.0638
Loa Loa (eye worm) hypothetical protein 0.0077 0.0199 0.0199
Onchocerca volvulus 0.0069 0.0164 0.024
Mycobacterium tuberculosis Probable lipase LipD 0.0077 0.0199 0.0638
Schistosoma mansoni protein tyrosine phosphatase 0.0086 0.024 0.024
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0042 0.0037 0.0174
Schistosoma mansoni pcd6 interacting protein-related 0.0086 0.024 0.024
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Onchocerca volvulus 0.0077 0.0199 0.0325
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Brugia malayi beta-lactamase family protein 0.0077 0.0199 0.0199
Mycobacterium tuberculosis Probable reductase 0.0085 0.0234 0.076
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0086 0.024 0.0221
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0295 0.1194 0.2478
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0199 0.1547
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.0474 0.0455
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.0474 0.0474
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Brugia malayi hypothetical protein 0.0086 0.024 0.024
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.2222 1 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Onchocerca volvulus 0.0086 0.024 0.0423
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0086 0.024 0.024
Brugia malayi GnHR receptor homolog 0.056 0.2406 0.2406
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0153 0.0545 0.0545
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0029 0.001
Onchocerca volvulus 0.0086 0.024 0.0423
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0086 0.024 0.0221
Leishmania major tyrosine specific protein phosphatase, putative 0.0086 0.024 0.1892
Schistosoma mansoni hypothetical protein 0.0149 0.053 0.053
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Mycobacterium ulcerans beta-lactamase 0.0077 0.0199 0.0192
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Onchocerca volvulus 0.0086 0.024 0.0423
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Trypanosoma cruzi endonuclease G, putative 0.0042 0.0037 0.0174
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0086 0.024 0.024
Onchocerca volvulus 0.0086 0.024 0.0423
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0086 0.024 0.0221
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Onchocerca volvulus 0.0086 0.024 0.0423
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0956 0.4217 0.4217
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0956 0.4217 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Brugia malayi Thioredoxin reductase 0.0037 0.0017 0.0017
Onchocerca volvulus 0.0077 0.0199 0.0325
Mycobacterium tuberculosis Probable hydrolase 0.0077 0.0199 0.0638
Echinococcus granulosus ectonucleotide 0.0058 0.0114 0.0095
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0491 0.2093 0.7276
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0096 0.0284 0.0266
Onchocerca volvulus 0.0086 0.024 0.0423
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0199 0.1547
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Onchocerca volvulus 0.0086 0.024 0.0423
Brugia malayi Thrombospondin type 1 domain containing protein 0.0149 0.053 0.053
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0096 0.0284 0.0284
Mycobacterium ulcerans lipase LipD 0.0077 0.0199 0.0192
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0277 0.0911
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Onchocerca volvulus 0.0086 0.024 0.0423
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.0199 0.0192
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Onchocerca volvulus 0.0077 0.0199 0.0325
Onchocerca volvulus 0.0086 0.024 0.0423
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0042 0.0037 0.1128
Onchocerca volvulus 0.0086 0.024 0.0423
Loa Loa (eye worm) hypothetical protein 0.0069 0.0164 0.0164
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0096 0.0284 0.0284
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0086 0.024 0.0503
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0199 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.0474 0.0455
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0956 0.4217 0.4217
Loa Loa (eye worm) hypothetical protein 0.0049 0.0071 0.0071
Loa Loa (eye worm) protein tyrosine phosphatase 0.0086 0.024 0.024
Mycobacterium tuberculosis Probable lipase LipE 0.0077 0.0199 0.0638
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0096 0.0284 0.0284
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0096 0.0284 0.0266
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0086 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.093 0.4098 0.4087
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Onchocerca volvulus 0.0086 0.024 0.0423
Onchocerca volvulus 4.1 G protein, putative homolog 0.0086 0.024 0.0423
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0956 0.4217 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0234 0.076
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.012 0.0362
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0234 0.076
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0956 0.4217 1
Echinococcus granulosus Endonuclease G 0.0042 0.0037 0.0018
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.0474 0.0474
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.2222 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0277 0.0911
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Echinococcus multilocularis 0.0086 0.024 0.0221
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0277 0.0911
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Toxoplasma gondii ABC1 family protein 0.0077 0.0199 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0164 0.0164
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0096 0.0284 0.0266
Schistosoma mansoni hypothetical protein 0.004 0.0029 0.0029
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0086 0.024 0.0221
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Loa Loa (eye worm) hypothetical protein 0.0232 0.0909 0.0909
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0956 0.4217 1
Trypanosoma cruzi endonuclease G, putative 0.0042 0.0037 0.0174
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0029 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.0474 0.0474
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0086 0.024 0.024
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0096 0.0284 0.0266
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0086 0.024 0.024
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0086 0.024 0.0221
Loa Loa (eye worm) hypothetical protein 0.0086 0.024 0.024
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0069 0.0164 0.0164
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0069 0.0164 0.0164
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0096 0.0284 0.0266
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0069 0.0164 0.0164
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.0909 0.0892
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.2222 1 1
Schistosoma mansoni protein tyrosine phosphatase 0.0086 0.024 0.024
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0234 0.076
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0058 0.0114 0.0095
Mycobacterium tuberculosis Conserved protein 0.0077 0.0199 0.0638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.0474 0.0474
Onchocerca volvulus 0.0162 0.0589 0.1265
Onchocerca volvulus 0.0069 0.0164 0.024
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0086 0.024 0.024
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0086 0.024 0.024
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0069 0.0164 0.0145
Onchocerca volvulus 0.0086 0.024 0.0423
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0086 0.024 0.0221
Schistosoma mansoni endonuclease related 0.0042 0.0037 0.0037
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0086 0.024 0.0221

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 71 % Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells at 1 uM ChEMBL. 17517510
Activity (binding) = 71 % Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells at 1 uM ChEMBL. 17517510
IC50 (functional) = -5.88 Antagonist activity at human GnRHR expressed in CHO cells after 30 mins by luciferase reporter gene assay ChEMBL. 17517510
Ki (binding) = -7.16 Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells ChEMBL. 17517510
Log IC50 (functional) = 5.88 Antagonist activity at human GnRHR expressed in CHO cells after 30 mins by luciferase reporter gene assay ChEMBL. 17517510
Log Ki (binding) = 7.16 Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells ChEMBL. 17517510

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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