Detailed information for compound 38004

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 665.63 | Formula: C32H36N5O9P
  • H donors: 5 H acceptors: 8 LogP: 1.15 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)N[C@H](C(=O)N[C@H]1CCC(=O)N2N(C1=O)[C@@H](CCC2)C(=O)NCc1cccc2c1cccc2)Cc1ccc(cc1)OP(=O)(O)O
  • InChi: 1S/C32H36N5O9P/c1-20(38)34-27(18-21-11-13-24(14-12-21)46-47(43,44)45)30(40)35-26-15-16-29(39)36-17-5-10-28(37(36)32(26)42)31(41)33-19-23-8-4-7-22-6-2-3-9-25(22)23/h2-4,6-9,11-14,26-28H,5,10,15-19H2,1H3,(H,33,41)(H,34,38)(H,35,40)(H2,43,44,45)/t26-,27-,28-/m0/s1
  • InChiKey: YLYKZZYZVCSJSA-KCHLEUMXSA-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 LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica ornithine decarboxylase, putative 0.0044 0.0654 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.073 0.073
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.073 0.073
Loa Loa (eye worm) carboxylesterase 0.0067 0.1243 0.1243
Loa Loa (eye worm) ACC-1 protein 0.0033 0.0348 0.0348
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0201 0.4838 0.8657
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0033 0.0348 0.0348
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0394 1 1
Schistosoma mansoni single-minded 0.0048 0.0741 0.0741
Trypanosoma brucei trypanothione reductase 0.0201 0.4838 1
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0409 0.0409
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Loa Loa (eye worm) serotonin transporter b 0.0394 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.007 0.1327 0.1327
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.007 0.1327 0.1327
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.035 0.035
Plasmodium falciparum thioredoxin reductase 0.007 0.1327 0.0205
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.073 0.073
Echinococcus multilocularis carboxylesterase 5A 0.0067 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0067 0.1254 0.1254
Brugia malayi Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein 0.0044 0.0654 0.0654
Trichomonas vaginalis ornithine decarboxylase, putative 0.0044 0.0654 0.2634
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0026 0.0158 0.0326
Schistosoma mansoni sodium/chloride dependent transporter 0.0067 0.1254 0.1254
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Schistosoma mansoni sodium/chloride dependent transporter 0.0394 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.0741 0.0741
Leishmania major dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Leishmania major cytochrome p450-like protein 0.0024 0.0094 0.0194
Echinococcus granulosus sodium and chloride dependent glycine 0.0067 0.1254 0.1254
Brugia malayi ShTK domain containing protein 0.0092 0.191 0.191
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0033 0.0348 0.0348
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.007 0.1327 0.2743
Onchocerca volvulus 0.0021 0.0034 0.0034
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.5525 1
Loa Loa (eye worm) norepinephrine transporter 0.0394 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0414 0.0674
Echinococcus granulosus glycine receptor subunit alpha 1 0.0033 0.0348 0.0348
Mycobacterium tuberculosis Probable oxidoreductase 0.007 0.1327 0.1787
Schistosoma mansoni nAChR subunit 0.0033 0.0348 0.0348
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0033 0.0348 0.0348
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.01 0.2139 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.073 0.073
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.007 0.1327 0.603
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1898
Treponema pallidum sodium- and chloride- dependent transporter 0.0394 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Leishmania major hypothetical protein, conserved 0.0035 0.0414 0.0855
Onchocerca volvulus 0.0108 0.2352 0.2352
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0033 0.0348 0.0348
Echinococcus multilocularis glutamate receptor 2 0.0039 0.0508 0.0508
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.007 0.1327 0.2743
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0033 0.0348 0.0348
Brugia malayi Glutamate receptor 1 precursor 0.0039 0.0508 0.0508
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Echinococcus granulosus glycine receptor subunit beta 0.0033 0.0348 0.0348
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0039 0.0508 0.0508
Brugia malayi Cytochrome P450 family protein 0.0024 0.0094 0.0094
Brugia malayi Carboxylesterase family protein 0.0067 0.1243 0.1243
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0409 0.1542
Loa Loa (eye worm) hypothetical protein 0.0067 0.1254 0.1254
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0033 0.0348 0.0348
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0414 0.1563
Brugia malayi PAS domain containing protein 0.0048 0.0741 0.0741
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0026 0.0158 0.0134
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0033 0.0348 0.0348
Schistosoma mansoni hypothetical protein 0.0175 0.4152 0.4152
Leishmania major dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Echinococcus multilocularis sodium and chloride dependent glycine 0.0067 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0021 0.0034 0.0034
Brugia malayi Receptor family ligand binding region containing protein 0.0021 0.0034 0.0034
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0039 0.0508 0.0508
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0067 0.1254 0.1254
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0408 0.0408
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0093 0.1945 0.1945
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.007 0.1327 0.603
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0033 0.0348 0.0348
Echinococcus granulosus receptor type guanylyl cyclase 0.0021 0.0034 0.0034
Trypanosoma cruzi trypanothione reductase, putative 0.007 0.1327 0.2743
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0059 0.1043 0.1043
Schistosoma mansoni sodium/chloride dependent transporter 0.0067 0.1254 0.1254
Schistosoma mansoni sodium-dependent amino acid transporter 0.0067 0.1254 0.1254
Mycobacterium ulcerans flavoprotein disulfide reductase 0.007 0.1327 0.603
Schistosoma mansoni nAChR subunit 0.0033 0.0348 0.0348
Echinococcus granulosus thioredoxin glutathione reductase 0.0201 0.4838 0.4838
Loa Loa (eye worm) tyrosinase 1 0.0092 0.191 0.191
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.073 0.073
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0059 0.1043 0.1043
Brugia malayi Cytochrome P450 family protein 0.0024 0.0094 0.0094
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0414 0.0855
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0044 0.0654 0.2634
Trypanosoma brucei ornithine decarboxylase 0.0044 0.0654 0.1181
Loa Loa (eye worm) solute carrier family 6 member 4 0.0394 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.007 0.1327 0.2065
Loa Loa (eye worm) acetylcholinesterase 1 0.0067 0.1243 0.1243
Plasmodium vivax glutathione reductase, putative 0.0201 0.4838 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.007 0.1327 0.2599
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1254
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0414 0.0855
Onchocerca volvulus 0.0067 0.1254 0.1254
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0033 0.0348 0.0348
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.007 0.1327 0.2599
Schistosoma mansoni glutamate receptor NMDA 0.0059 0.1043 0.1043
Loa Loa (eye worm) RGC/RGC protein kinase 0.0021 0.0034 0.0034
Brugia malayi Cation transporter family protein 0.0108 0.2352 0.2352
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0139 0.3182 0.3182
Echinococcus granulosus carboxylesterase 5A 0.0067 0.1243 0.1243
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.1243 0.1243
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.007 0.1327 0.5
Onchocerca volvulus 0.0092 0.191 0.191
Brugia malayi glutathione reductase 0.0201 0.4838 0.4838
Schistosoma mansoni hypothetical protein 0.0035 0.0408 0.0408
Loa Loa (eye worm) thioredoxin reductase 0.0201 0.4838 0.4838
Brugia malayi beta-lactamase 0.0035 0.0414 0.0414
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.0044 0.0654 0.0471
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0094 0.0194
Loa Loa (eye worm) pyridoxal-dependent decarboxylase 0.0044 0.0654 0.0654
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0033 0.0348 0.0348
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.007 0.1327 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0033 0.0348 0.0348
Plasmodium falciparum glutathione reductase 0.007 0.1327 0.0205
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0026 0.0158 0.0158
Onchocerca volvulus 0.0067 0.1254 0.1254
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.007 0.1327 0.1327
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0044 0.0654 0.2634
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.0044 0.0654 0.2634
Leishmania major acetoin dehydrogenase e3 component-like protein 0.007 0.1327 0.2743
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0067 0.1254 0.1254
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0508 0.0508
Schistosoma mansoni lipoxygenase 0.0116 0.2557 0.2557
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0059 0.1043 0.1043
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Echinococcus granulosus acetylcholinesterase 0.0067 0.1243 0.1243
Loa Loa (eye worm) LGC-31 protein 0.0033 0.0348 0.0348
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.007 0.1327 0.1787
Onchocerca volvulus 0.0108 0.2352 0.2352
Echinococcus granulosus sodium and chloride dependent glycine 0.0067 0.1254 0.1254
Echinococcus multilocularis nmda type glutamate receptor 0.0139 0.3182 0.3182
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0033 0.0348 0.0348
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.01 0.2139 1
Brugia malayi Thioredoxin reductase 0.0201 0.4838 0.4838
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0033 0.0348 0.0348
Echinococcus multilocularis acetylcholinesterase 0.0067 0.1243 0.1243
Brugia malayi Guanylyl cyclase protein 23 0.0021 0.0034 0.0034
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0051 0.0833 0.0833
Loa Loa (eye worm) beta-lactamase 0.0035 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0026 0.0158 0.0326
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0414 0.0414
Echinococcus multilocularis NMDA receptor 0.0039 0.0508 0.0508
Schistosoma mansoni nAChR subunit 0.0033 0.0348 0.0348
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0026 0.0158 0.0158
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0021 0.0034 0.0034
Mycobacterium ulcerans hypothetical protein 0.0035 0.0414 0.1563
Schistosoma mansoni tyrosine kinase 0.0021 0.0034 0.0034
Echinococcus granulosus glutamate receptor 2 0.0059 0.1043 0.1043
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0039 0.0508 0.0508
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0067 0.1254 0.1254
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0059 0.1043 0.1043
Onchocerca volvulus 0.0092 0.191 0.191
Loa Loa (eye worm) hypothetical protein 0.0067 0.1243 0.1243
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0026 0.0158 0.0134
Onchocerca volvulus 0.0394 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Onchocerca volvulus 0.0067 0.1254 0.1254
Echinococcus granulosus tyrosine kinase 0.0021 0.0034 0.0034
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0033 0.0348 0.0348
Brugia malayi hypoxia-induced factor 1 0.0148 0.3413 0.3413
Echinococcus multilocularis nAChR subunit 0.0033 0.0348 0.0348
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0033 0.0348 0.0348
Brugia malayi Common central domain of tyrosinase family protein 0.0092 0.191 0.191
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0067 0.1254 0.1254
Echinococcus multilocularis tyrosine kinase 0.0021 0.0034 0.0034
Brugia malayi hypothetical protein 0.016 0.3744 0.3744
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0844 0.0844
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Echinococcus granulosus acetylcholinesterase 0.0067 0.1243 0.1243
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0067 0.1254 0.1254
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0051 0.0833 0.0833
Loa Loa (eye worm) hypothetical protein 0.0092 0.191 0.191
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0035 0.0414 0.0414
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0026 0.0158 0.0158
Onchocerca volvulus 0.0108 0.2352 0.2352
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0033 0.0348 0.0348
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0039 0.0508 0.0508
Schistosoma mansoni nAChR subunit 0.0033 0.0348 0.0348
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0067 0.1254 0.1254
Chlamydia trachomatis glutamine binding protein 0.01 0.2139 1
Trichomonas vaginalis ornithine decarboxylase, putative 0.0044 0.0654 0.2634
Schistosoma mansoni nAChR subunit 0.0033 0.0348 0.0348
Plasmodium vivax thioredoxin reductase, putative 0.0201 0.4838 1
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0094 0.0194
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0033 0.0348 0.0348
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0116 0.2557 0.2557
Loa Loa (eye worm) hypothetical protein 0.0067 0.1254 0.1254
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0059 0.1043 0.1043
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.073 0.073
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.007 0.1327 0.1327
Onchocerca volvulus 0.0033 0.0348 0.0348
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Echinococcus multilocularis acetylcholinesterase 0.0067 0.1243 0.1243
Brugia malayi beta-lactamase family protein 0.0035 0.0414 0.0414
Loa Loa (eye worm) ShTK domain-containing protein 0.0092 0.191 0.191
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0844 0.0844
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0039 0.0508 0.0508
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0067 0.1254 0.1254
Echinococcus granulosus glutamate receptor subunit protein glur 0.0039 0.0508 0.0508
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1254
Plasmodium falciparum glutathione reductase 0.0201 0.4838 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0033 0.0348 0.0348
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.007 0.1327 0.1787
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0035 0.0414 0.0414
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Loa Loa (eye worm) glutamate receptor 2 0.0039 0.0508 0.0508
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.01 0.2139 0.0936
Echinococcus granulosus glycine receptor subunit beta 0.0033 0.0348 0.0348
Onchocerca volvulus 0.0033 0.0348 0.0348
Echinococcus granulosus glutamate NMDA receptor subunit 0.0039 0.0508 0.0508
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0033 0.0348 0.0348
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1254
Brugia malayi Cation transporter family protein 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0039 0.0508 0.0508
Echinococcus multilocularis glutamate receptor 2 0.0059 0.1043 0.1043
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1898
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.007 0.1327 0.2065
Loa Loa (eye worm) hypoxia-induced factor 1 0.0148 0.3413 0.3413
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0409 0.0409
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0033 0.0348 0.0348
Plasmodium falciparum thioredoxin reductase 0.0201 0.4838 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0033 0.0348 0.0348
Echinococcus granulosus nAChR subunit 0.0033 0.0348 0.0348
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0052 0.0844 0.0844
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0033 0.0348 0.0348
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.073 0.073
Schistosoma mansoni hypothetical protein 0.0039 0.0508 0.0508
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0067 0.1254 0.1254
Echinococcus multilocularis glycine receptor subunit beta 0.0033 0.0348 0.0348
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0033 0.0348 0.0348
Onchocerca volvulus 0.0035 0.0409 0.0409
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0039 0.0508 0.0508
Brugia malayi excitatory GABA receptor EXP-1A 0.0033 0.0348 0.0348
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0508 0.0508
Echinococcus granulosus glycine receptor subunit alpha 1 0.0033 0.0348 0.0348
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0033 0.0348 0.0348
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.0044 0.0654 0.274
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.007 0.1327 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.007 0.1327 0.0205
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0033 0.0348 0.0348
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.5974 0.5974
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0108 0.2352 0.2352
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0033 0.0348 0.0348
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0067 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Brugia malayi hypothetical protein 0.0067 0.1254 0.1254
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.007 0.1327 0.2743
Loa Loa (eye worm) hypothetical protein 0.016 0.3744 0.3744
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0033 0.0348 0.0348
Schistosoma mansoni tyrosinase precursor 0.0092 0.191 0.191
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0033 0.0348 0.0348
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0026 0.0158 0.0158
Loa Loa (eye worm) glutamate receptor 1 0.0039 0.0508 0.0508
Schistosoma mansoni nAChR subunit 0.0033 0.0348 0.0348
Schistosoma mansoni protein kinase 0.0021 0.0034 0.0034
Plasmodium vivax amine transporter, putative 0.0067 0.1254 0.1898
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0844 0.0844
Onchocerca volvulus 0.0033 0.0348 0.0348
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0026 0.0158 0.0134
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0033 0.0348 0.0348
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0067 0.1254 0.1254
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.191 0.191
Trypanosoma cruzi trypanothione reductase, putative 0.0201 0.4838 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1898
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.007 0.1327 0.2599
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Schistosoma mansoni lipoxygenase 0.0081 0.1627 0.1627
Mycobacterium ulcerans beta-lactamase 0.0035 0.0414 0.1563
Loa Loa (eye worm) hypothetical protein 0.0092 0.191 0.191
Loa Loa (eye worm) hypothetical protein 0.0108 0.2352 0.2352
Giardia lamblia NADH oxidase lateral transfer candidate 0.007 0.1327 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Schistosoma mansoni tyrosinase precursor 0.0092 0.191 0.191
Echinococcus multilocularis geminin 0.0175 0.4152 0.4152
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0033 0.0348 0.0348
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0035 0.0408 0.0408
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0035 0.0414 0.0414
Brugia malayi Cytochrome P450 family protein 0.0033 0.035 0.035
Toxoplasma gondii hypothetical protein 0.0067 0.1254 0.1898
Loa Loa (eye worm) hypothetical protein 0.0035 0.0414 0.0414
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.01 0.2139 0.0936
Schistosoma mansoni ATP-binding cassette transporter 0.0039 0.0508 0.0508
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0033 0.0348 0.0348
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0414 0.0414
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.007 0.1327 0.083
Echinococcus granulosus glycine receptor subunit alpha 1 0.0033 0.0348 0.0348
Loa Loa (eye worm) ACC-1 protein 0.0033 0.0348 0.0348
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0508 0.0508
Echinococcus granulosus geminin 0.0175 0.4152 0.4152
Echinococcus multilocularis thioredoxin glutathione reductase 0.0201 0.4838 0.4838
Schistosoma mansoni glutamate receptor AMPA 0.0039 0.0508 0.0508
Echinococcus multilocularis serotonin transporter 0.0394 1 1
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.007 0.1347 0.2109
Toxoplasma gondii diaminopimelate decarboxylase 0.0044 0.0654 0.0544
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0094 0.0094
Leishmania major trypanothione reductase 0.0201 0.4838 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0033 0.0348 0.0348
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.191 0.191
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.007 0.1327 0.1787
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Onchocerca volvulus 0.0035 0.0414 0.0414
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.073 0.073
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0033 0.0348 0.0348
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0414 0.0414
Echinococcus granulosus serotonin transporter 0.0394 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0067 0.1254 0.1254
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0033 0.0348 0.0348
Schistosoma mansoni glutamate receptor NMDA 0.0039 0.0508 0.0508
Brugia malayi beta-lactamase family protein 0.0035 0.0414 0.0414
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0033 0.0348 0.0348
Onchocerca volvulus 0.0035 0.0414 0.0414
Echinococcus multilocularis glycine receptor subunit beta 0.0033 0.0348 0.0348
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0116 0.2557 0.2557
Echinococcus multilocularis receptor type guanylyl cyclase 0.0021 0.0034 0.0034
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.007 0.1327 0.2743
Echinococcus multilocularis sodium and chloride dependent glycine 0.0067 0.1254 0.1254
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.073 0.073
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0033 0.0348 0.0348
Echinococcus granulosus nmda type glutamate receptor 0.0139 0.3182 0.3182
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.007 0.1327 0.2599
Loa Loa (eye worm) glutathione reductase 0.0201 0.4838 0.4838
Toxoplasma gondii NADPH-glutathione reductase 0.007 0.1327 0.2065
Loa Loa (eye worm) ShTK domain-containing protein 0.0092 0.191 0.191
Loa Loa (eye worm) hypothetical protein 0.0035 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0067 0.1243 0.1243
Loa Loa (eye worm) hypothetical protein 0.0035 0.0414 0.0414
Trichomonas vaginalis mercuric reductase, putative 0.007 0.1327 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0067 0.1254 0.1254
Onchocerca volvulus 0.0044 0.0654 0.0654
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0092 0.191 0.191
Schistosoma mansoni tyrosine kinase 0.0021 0.0034 0.0034
Toxoplasma gondii hypothetical protein 0.0067 0.1254 0.1898
Trichomonas vaginalis glutathione reductase, putative 0.007 0.1327 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0059 0.1043 0.1043
Echinococcus granulosus single minded 2 0.0035 0.0409 0.0409
Onchocerca volvulus 0.0035 0.0414 0.0414
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.007 0.1347 0.0259
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0414 0.1563
Leishmania major ornithine decarboxylase, putative 0.0044 0.0654 0.1352
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0067 0.1254 0.1254
Mycobacterium ulcerans lipase LipD 0.0035 0.0414 0.1563
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.007 0.1327 0.0205
Leishmania major S-adenosylmethionine decarboxylase 0.0026 0.0158 0.0326
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0108 0.2352 0.2352
Brugia malayi Cation transporter family protein 0.0033 0.0348 0.0348
Brugia malayi follicle stimulating hormone receptor 0.0244 0.5974 0.5974
Loa Loa (eye worm) hypothetical protein 0.0067 0.1254 0.1254
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0059 0.1043 0.1043
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0394 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Onchocerca volvulus 0.0092 0.191 0.191
Schistosoma mansoni nAChR subunit 0.0033 0.0348 0.0348
Toxoplasma gondii thioredoxin reductase 0.0201 0.4838 1
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0092 0.191 0.191
Brugia malayi Carboxylesterase family protein 0.0067 0.1243 0.1243
Schistosoma mansoni hypothetical protein 0.0175 0.4152 0.4152
Onchocerca volvulus 0.0092 0.191 0.191
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0059 0.1043 0.1043
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0033 0.0348 0.0348
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.01 0.2139 0.3375
Brugia malayi Glutamate receptor 2 precursor 0.0039 0.0508 0.0508
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0414 0.0414
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.007 0.1327 0.2065
Plasmodium vivax hypothetical protein, conserved 0.0067 0.1254 0.1898
Loa Loa (eye worm) RGC/RGC protein kinase 0.0021 0.0034 0.0034
Loa Loa (eye worm) RGC/RGC protein kinase 0.0021 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0108 0.2352 0.2352
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0414 0.0414
Schistosoma mansoni glutamate receptor kainate 0.0039 0.0508 0.0508
Onchocerca volvulus Putative nachr subunit 0.0033 0.0348 0.0348
Loa Loa (eye worm) hypothetical protein 0.0033 0.0348 0.0348

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.9 uM Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA) ChEMBL. 11992778
IC50 (binding) = 1.9 uM Inhibitory activity towards p56 Lck tyrosine kinase SH2 domain using scintillation proximity assay (SPA) ChEMBL. 11992778

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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