Detailed information for compound 653109

Basic information

Technical information
  • TDR Targets ID: 653109
  • Name: 2-(2-hydroxyethylamino)spiro[1,6-dihydrobenzo [h]quinazoline-5,1'-cyclopentane]-4-one
  • MW: 311.378 | Formula: C18H21N3O2
  • H donors: 3 H acceptors: 4 LogP: 3.51 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNc1nc(O)c2c(n1)c1ccccc1CC12CCCC1
  • InChi: 1S/C18H21N3O2/c22-10-9-19-17-20-15-13-6-2-1-5-12(13)11-18(7-3-4-8-18)14(15)16(23)21-17/h1-2,5-6,22H,3-4,7-11H2,(H2,19,20,21,23)
  • InChiKey: XUTYIDAGCCGARZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-hydroxyethylamino)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]one
  • 2-[(2-hydroxyethyl)amino]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
  • MLS000530413
  • SMR000135391
  • Oprea1_854815
  • Oprea1_033135
  • ZINC02193400
  • BAS 00608811
  • EU-0071351
  • STOCK1S-00288

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
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
Schistosoma mansoni nAChR subunit 0.0061 0.0945 0.1177
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1215 0.1519
Schistosoma mansoni inositol monophosphatase 0.0037 0.0332 0.0402
Leishmania major cytochrome p450-like protein 0.0025 0.0015 0.0057
Onchocerca volvulus 0.0061 0.0945 0.0867
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.0945 0.0931
Onchocerca volvulus Putative nachr subunit 0.0406 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0945 0.0931
Toxoplasma gondii exonuclease III APE 0.004 0.0397 0.1329
Brugia malayi hypothetical protein 0.0051 0.069 0.0676
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.0945 0.0931
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0397 0.0383
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0397 0.566
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0028 0.0085 0.007
Schistosoma mansoni aldehyde dehydrogenase 0.0125 0.2641 0.3325
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.069 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0406 1 1
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0028 0.0085 0.007
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0406 1 1
Brugia malayi hypothetical protein 0.0028 0.0085 0.007
Echinococcus granulosus nAChR subunit 0.0061 0.0945 0.0931
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0945 0.0931
Brugia malayi hypothetical protein 0.0028 0.0085 0.007
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.0945 0.0931
Brugia malayi Cytochrome P450 family protein 0.0084 0.1565 0.1552
Brugia malayi Cytochrome P450 family protein 0.0043 0.0483 0.0469
Brugia malayi hypothetical protein 0.0028 0.0085 0.007
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0397 0.0383
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0332 0.1105
Trypanosoma brucei cytochrome P450, putative 0.0043 0.0483 0.6932
Schistosoma mansoni nAChR subunit 0.0061 0.0945 0.1177
Loa Loa (eye worm) acetylcholine receptor protein 0.0028 0.0085 0.007
Brugia malayi Cation transporter family protein 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0031 0.0152 0.0137
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0665 0.0651
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0125 0.2641 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0397 0.5755
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.0945 0.1177
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0125 0.2641 0.263
Brugia malayi Cation transporter family protein 0.0061 0.0945 0.0931
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0061 0.0945 0.0931
Schistosoma mansoni nAChR subunit 0.0061 0.0945 0.1177
Onchocerca volvulus 0.0084 0.1562 0.1489
Echinococcus multilocularis nAChR subunit 0.0033 0.0209 0.0194
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0406 1 1
Onchocerca volvulus 0.0033 0.0209 0.0125
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0028 0.0085 0.007
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.0945 0.0931
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.2641 1
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0028 0.0085 0.007
Loa Loa (eye worm) hypothetical protein 0.005 0.0665 0.0651
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0332 0.4818
Echinococcus granulosus nAChR subunit 0.0033 0.0209 0.0194
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0061 0.0945 0.0931
Schistosoma mansoni neurotransmitter gated ion channel 0.0033 0.0209 0.0245
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.069 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0332 0.8372
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Brugia malayi hypothetical protein 0.0038 0.035 0.0336
Schistosoma mansoni aldehyde dehydrogenase 0.0125 0.2641 0.3325
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.035 0.0425
Onchocerca volvulus 0.0061 0.0945 0.0867
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0033 0.0209 0.0194
Loa Loa (eye worm) hypothetical protein 0.0084 0.1562 0.1549
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.1562 0.1549
Loa Loa (eye worm) hypothetical protein 0.0034 0.0249 0.0234
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0332 0.0318
Schistosoma mansoni hypothetical protein 0.0326 0.7912 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.0945 0.0931
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.035 0.0336
Brugia malayi Cation transporter family protein 0.0061 0.0945 0.0931
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0397 0.1455
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Brugia malayi Inositol-1 0.0037 0.0332 0.0318
Leishmania major cytochrome p450-like protein 0.0025 0.0015 0.0057
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Echinococcus multilocularis snurportin 1 0.0326 0.7912 0.7909
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0152 0.0137
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0152 0.2025
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.0945 0.1177
Schistosoma mansoni acetylcholine receptor subunit beta 0.0028 0.0085 0.0089
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0028 0.0085 0.007
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0332 0.1259
Schistosoma mansoni nAChR subunit 0.0061 0.0945 0.1177
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0397 0.0383
Loa Loa (eye worm) hypothetical protein 0.01 0.1969 0.1957
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0332 0.4818
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0665 0.0651
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0043 0.0483 0.1782
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.1562 0.1959
Entamoeba histolytica hypothetical protein 0.0038 0.035 0.1779
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0332 0.8372
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0028 0.0085 0.007
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.1565 0.1552
Entamoeba histolytica hypothetical protein 0.0033 0.0209 0.1061
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Schistosoma mansoni ap endonuclease 0.004 0.0397 0.0484
Schistosoma mansoni neurotransmitter gated ion channel 0.0028 0.0085 0.0089
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0397 0.4558
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Brugia malayi excitatory GABA receptor EXP-1A 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1215 0.1202
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0332 0.1209
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0125 0.2641 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0033 0.0209 0.0194
Entamoeba histolytica hypothetical protein 0.0038 0.035 0.1779
Schistosoma mansoni hypothetical protein 0.0038 0.035 0.0425
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1215 0.1202
Echinococcus granulosus glycine receptor subunit beta 0.0061 0.0945 0.0931
Onchocerca volvulus 0.0061 0.0945 0.0867
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Loa Loa (eye worm) LGC-31 protein 0.0061 0.0945 0.0931
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.1562 0.1549
Schistosoma mansoni neurotransmitter gated ion channel 0.0028 0.0085 0.0089
Onchocerca volvulus 0.0061 0.0945 0.0867
Brugia malayi hypothetical protein 0.0033 0.0215 0.02
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0061 0.0945 0.1177
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0061 0.0945 0.0931
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0249 0.0234
Loa Loa (eye worm) CYP4Cod1 0.0043 0.0483 0.0469
Loa Loa (eye worm) ACC-1 protein 0.0061 0.0945 0.0931
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.2641 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1969 1
Brugia malayi jmjC domain containing protein 0.0071 0.1215 0.1202
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0061 0.0945 0.0931
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0397 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0945 0.0931
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0397 1
Trypanosoma cruzi cytochrome P450, putative 0.0043 0.0483 0.6998
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0665 0.0651
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0332 0.4703
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0033 0.0209 0.0245
Mycobacterium ulcerans aldehyde dehydrogenase 0.0125 0.2641 1
Leishmania major hypothetical protein, conserved 0.0051 0.069 0.2613
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0061 0.0945 0.1177
Loa Loa (eye worm) hypothetical protein 0.0051 0.069 0.0676
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0406 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.069 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0061 0.0945 0.0931
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0025 0.0015 0.0218
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0945 0.0931
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0229 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0028 0.0085 0.007
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0033 0.0209 0.0194
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1215 0.1202
Echinococcus multilocularis glycine receptor subunit beta 0.0061 0.0945 0.0931
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0061 0.0945 0.0931
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0397 0.0383
Onchocerca volvulus 0.0061 0.0945 0.0867
Echinococcus granulosus glycine receptor subunit alpha 1 0.0061 0.0945 0.0931
Entamoeba histolytica hypothetical protein 0.0038 0.035 0.1779
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0061 0.0945 0.0931
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0152 0.0476
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0406 1 1
Echinococcus multilocularis nAChR subunit 0.0061 0.0945 0.0931
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0028 0.0085 0.007
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0061 0.0945 0.1177
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0061 0.0945 0.0931
Brugia malayi Importin beta-1 subunit 0.0031 0.0152 0.0137
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0028 0.0085 0.007
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0397 0.1455
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0061 0.0945 0.0931
Onchocerca volvulus 0.0033 0.0209 0.0125
Brugia malayi hypothetical protein 0.0028 0.0085 0.007
Schistosoma mansoni nAChR subunit 0.0028 0.0085 0.0089
Schistosoma mansoni acetylcholine receptor-related 0.0028 0.0085 0.0089
Schistosoma mansoni nAChR subunit 0.0061 0.0945 0.1177
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Leishmania major cytochrome p450-like protein 0.0043 0.0483 0.1829
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0061 0.0945 0.0931
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1215 0.1202
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0152 0.2025
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0033 0.0209 0.0194
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1215 0.1202
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0033 0.0209 0.0245
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1215 0.1519
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0397 0.5
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0061 0.0945 0.0931
Toxoplasma gondii PAN domain-containing protein 0.0135 0.2889 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0028 0.0085 0.007
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0229 0.0817
Brugia malayi RNA, U transporter 1 0.0087 0.163 0.1618
Onchocerca volvulus 0.0061 0.0945 0.0867
Brugia malayi jmjC domain containing protein 0.0071 0.1215 0.1202
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0332 0.8372
Echinococcus granulosus importin subunit beta 1 0.0031 0.0152 0.0137
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0028 0.0085 0.007
Schistosoma mansoni nAChR subunit 0.0061 0.0945 0.1177
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0061 0.0945 0.0931
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.035 0.0336
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Brugia malayi hypothetical protein 0.0028 0.0085 0.007
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0028 0.0085 0.007
Loa Loa (eye worm) inositol-1 0.0037 0.0332 0.0318
Toxoplasma gondii aldehyde dehydrogenase 0.0125 0.2641 0.9137
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Schistosoma mansoni hypothetical protein 0.0034 0.0249 0.0296
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.1969 1
Echinococcus granulosus snurportin 1 0.0326 0.7912 0.7909
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.0945 0.0931
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0061 0.0945 0.0931
Trypanosoma cruzi cytochrome P450, putative 0.0043 0.0483 0.6998
Schistosoma mansoni ap endonuclease 0.004 0.0397 0.0484
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0406 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0125 0.2641 0.263
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Schistosoma mansoni nAChR subunit 0.0028 0.0085 0.0089
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0061 0.0945 0.0931
Loa Loa (eye worm) ACC-1 protein 0.0061 0.0945 0.0931
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0397 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.069 1
Echinococcus granulosus glycine receptor subunit beta 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.069 0.2349
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0397 0.4558
Toxoplasma gondii PAN domain-containing protein 0.0135 0.2889 1
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1215 0.1519
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0397 0.5755
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.1562 0.1549
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0397 0.2017
Schistosoma mansoni importin beta-1 0.0031 0.0152 0.0173
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.069 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0326 0.7912 0.7909
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0061 0.0945 0.0931
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0028 0.0085 0.007
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0483 0.0469
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0025 0.0015 0.0218
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0406 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0061 0.0945 0.0931
Loa Loa (eye worm) hypothetical protein 0.0028 0.0085 0.007
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0483 0.0469
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0061 0.0945 0.0931
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0397 0.1504
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0061 0.0945 0.0931
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0025 0.0015 0.0218
Loa Loa (eye worm) hypothetical protein 0.0061 0.0945 0.0931
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0397 1
Loa Loa (eye worm) hypothetical protein 0.0406 1 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0332 0.0402
Echinococcus multilocularis glycine receptor subunit beta 0.0061 0.0945 0.0931
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0332 0.1688
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0061 0.0945 0.1177
Entamoeba histolytica hypothetical protein 0.0038 0.035 0.1779
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Brugia malayi Cytochrome P450 family protein 0.0043 0.0483 0.0469
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0025 0.0015 0.0057
Schistosoma mansoni nAChR subunit 0.0061 0.0945 0.1177
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0194
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0332 0.0318
Loa Loa (eye worm) GABA receptor subunit 0.0033 0.0209 0.0194

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

No literature references available for this target.

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