Detailed information for compound 839745

Basic information

Technical information
  • TDR Targets ID: 839745
  • Name: 4-[5-(3-chlorophenoxy)pentyl]morpholine
  • MW: 283.794 | Formula: C15H22ClNO2
  • H donors: 0 H acceptors: 0 LogP: 3.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)OCCCCCN1CCOCC1
  • InChi: 1S/C15H22ClNO2/c16-14-5-4-6-15(13-14)19-10-3-1-2-7-17-8-11-18-12-9-17/h4-6,13H,1-3,7-12H2
  • InChiKey: YVKZXJPZHIVVJO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • BIM-0018993.P001
  • CBMicro_019126
  • MLS001001607
  • SMR000496234

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.035 0.035
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.015 0.0511
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0021 0.0001
Brugia malayi phosphofructokinase 0.011 0.094 0.094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0171 0.0151
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0472 0.5023
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0341 0.2985
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0134 0.3125
Brugia malayi hypothetical protein 0.0447 0.4199 0.4199
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0261 0.0576
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1047 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.015 0.0511
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.002 0.0013
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0166 0.0589
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.094 0.094
Trypanosoma brucei trypanothione reductase 0.0048 0.0341 0.0341
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.1047 1 1
Leishmania major ATP-dependent phosphofructokinase 0.011 0.094 0.094
Schistosoma mansoni fructose-16-bisphosphatase-related 0.1047 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.0932 0.8837
Echinococcus granulosus lamin 0.0027 0.0143 0.0136
Loa Loa (eye worm) hypothetical protein 0.003 0.0171 0.0171
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.0932 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.1049 1
Schistosoma mansoni thyroid hormone receptor 0.0137 0.1206 0.1188
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.1047 1 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.002 0.002
Brugia malayi 6-phosphofructokinase 0.011 0.094 0.094
Echinococcus multilocularis chromobox protein 1 0.007 0.0559 0.0553
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0472 0.0434
Schistosoma mansoni lamin 0.0027 0.0143 0.0123
Plasmodium falciparum thioredoxin reductase 0.0048 0.0341 1
Onchocerca volvulus 0.0049 0.035 0.079
Loa Loa (eye worm) hypothetical protein 0.0027 0.0138 0.0138
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0171 0.0151
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0143 0.0143
Plasmodium vivax SET domain protein, putative 0.003 0.0171 0.4358
Echinococcus granulosus flap endonuclease 1 0.0026 0.0134 0.0127
Toxoplasma gondii fructose-bisphospatase II 0.1047 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0166 0.0589
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0143 0.0143
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.1909 0.1909
Toxoplasma gondii 6-phosphofructokinase 0.003 0.0166 0.0127
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.004 0.004
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.004 0.0424
Brugia malayi Pre-SET motif family protein 0.021 0.1909 0.1909
Echinococcus multilocularis neuropeptide s receptor 0.0468 0.4404 0.4401
Schistosoma mansoni 6-phosphofructokinase 0.011 0.094 0.0922
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.0598 0.0592
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.004 0.004
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0389 0.3643 0.3643
Echinococcus multilocularis Ankyrin 0.0015 0.0021 0.0014
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.016 0.0154
Echinococcus granulosus lamin dm0 0.0027 0.0143 0.0136
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.004 0.002
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0559 0.0559
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0007
Echinococcus granulosus intermediate filament protein 0.0027 0.0143 0.0136
Echinococcus multilocularis thyroid hormone receptor alpha 0.0137 0.1206 0.12
Echinococcus multilocularis geminin 0.0205 0.1858 0.1852
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.1049 1
Schistosoma mansoni lozenge 0.0056 0.0422 0.0402
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.003 0.0166 0.0402
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.004 0.0424
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.002 0.0013
Trichomonas vaginalis set domain proteins, putative 0.0239 0.219 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1047 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Schistosoma mansoni survival motor neuron protein 0.0049 0.035 0.0331
Schistosoma mansoni lamin 0.0027 0.0143 0.0123
Toxoplasma gondii fructose-bisphospatase I 0.0389 0.3643 0.3618
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0002
Echinococcus multilocularis neuropeptide receptor A26 0.0468 0.4404 0.4401
Brugia malayi Thioredoxin reductase 0.0048 0.0341 0.0341
Loa Loa (eye worm) phosphofructokinase 0.011 0.094 0.094
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0134 0.0134
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.094 0.094
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0472 0.0465
Brugia malayi hypothetical protein 0.0239 0.2186 0.2186
Onchocerca volvulus 0.0031 0.0179 0.0379
Trichomonas vaginalis chromobox protein, putative 0.0042 0.029 0.1163
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0166 0.4201
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0166 0.0589
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0134 0.0127
Echinococcus granulosus netrin receptor unc 5 0.0015 0.002 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0171 0.0151
Trichomonas vaginalis chromobox protein, putative 0.007 0.0559 0.2417
Leishmania major trypanothione reductase 0.0048 0.0341 0.0341
Echinococcus granulosus chromobox protein 1 0.007 0.0559 0.0553
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.1049 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 0.2162 0.2162
Schistosoma mansoni flap endonuclease-1 0.0024 0.011 0.009
Schistosoma mansoni chromobox protein 0.007 0.0559 0.054
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0239 0.2186 0.2186
Schistosoma mansoni hypothetical protein 0.0205 0.1858 0.1841
Entamoeba histolytica phosphofructokinase, putative 0.011 0.094 1
Echinococcus multilocularis lamin 0.0027 0.0143 0.0136
Brugia malayi Pre-SET motif family protein 0.003 0.0171 0.0171
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Brugia malayi 6-phosphofructokinase 0.011 0.094 0.094
Entamoeba histolytica phosphofructokinase, putative 0.011 0.094 1
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0341 0.0341
Trichomonas vaginalis chromobox protein, putative 0.007 0.0559 0.2417
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Leishmania major 0.1047 1 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.094 0.8918
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.0932 0.8837
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0021 0.0021
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.004 0.004
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0166 1
Toxoplasma gondii phosphofructokinase PFKII 0.003 0.0166 0.0127
Loa Loa (eye worm) runx1 0.0056 0.0422 0.0422
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.094 0.4187
Trypanosoma brucei fructose-1,6-bisphosphatase 0.1047 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.004 0.0033
Loa Loa (eye worm) hypothetical protein 0.0031 0.0179 0.0179
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0039 0.0261 0.0261
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0171 0.0164
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.1049 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0027 0.0143 0.0143
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.002 0.000000020361
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.2186 0.218
Echinococcus granulosus chromobox protein 1 0.007 0.0559 0.0553
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.004 0.004
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.004 0.004
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0166 0.4201
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0143 0.0143
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.004 0.004
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.094 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.094 0.094
Echinococcus granulosus death domain containing protein 0.0015 0.002 0.0013
Brugia malayi Uncoordinated protein 44 0.0015 0.002 0.002
Plasmodium vivax glutathione reductase, putative 0.0048 0.0341 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.094 0.4187
Onchocerca volvulus 0.0027 0.0143 0.0294
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0134 0.0095
Schistosoma mansoni thyroid hormone receptor 0.0137 0.1206 0.1188
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0389 0.3643 0.3643
Brugia malayi chromobox protein homolog 3 0.0039 0.0261 0.0261
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.094 0.0934
Trichomonas vaginalis chromobox protein, putative 0.0042 0.029 0.1163
Echinococcus granulosus Ankyrin 0.0015 0.0021 0.0014
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.003 0.0166 0.1406
Onchocerca volvulus 0.0239 0.2191 0.5195
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.094 0.4187
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0134 0.0438
Onchocerca volvulus 0.0027 0.0143 0.0294
Loa Loa (eye worm) hypothetical protein 0.0447 0.4199 0.4199
Entamoeba histolytica phosphofructokinase, putative 0.011 0.094 1
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0166 0.4201
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.004 0.0424
Echinococcus granulosus fructose 16 bisphosphatase 1 0.1047 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0166 0.0589
Loa Loa (eye worm) hypothetical protein 0.0015 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0049 0.035 0.0331
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0134 0.7439
Echinococcus granulosus neuropeptide s receptor 0.0468 0.4404 0.4401
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.0932 0.8837
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0166 0.0589
Brugia malayi Heterochromatin protein 1 0.007 0.0559 0.0559
Brugia malayi Flap endonuclease-1 0.0026 0.0134 0.0134
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.004 0.004
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.094 0.094
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0127 0.1108 0.1101
Mycobacterium tuberculosis Probable reductase 0.0109 0.0932 0.8837
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.029 0.0645
Echinococcus multilocularis lamin dm0 0.0027 0.0143 0.0136
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0127 0.1108 0.1101
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.002 0.0013
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0134 0.0134
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0389 0.3643 0.3618
Onchocerca volvulus 0.0042 0.0282 0.0627
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0171 0.0132
Loa Loa (eye worm) glutathione reductase 0.0048 0.0341 0.0341
Brugia malayi intermediate filament protein 0.0027 0.0143 0.0143
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.0282 0.0263
Loa Loa (eye worm) hypothetical protein 0.0015 0.0021 0.0021
Brugia malayi glutathione reductase 0.0048 0.0341 0.0341
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0171 0.0164
Echinococcus multilocularis Protein lozenge 0.0056 0.0422 0.0415
Plasmodium falciparum flap endonuclease 1 0.0026 0.0134 0.3125
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.094 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Brugia malayi Death domain containing protein 0.0015 0.002 0.002
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0134 0.0134
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.094 0.4187
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0472 0.5023
Echinococcus granulosus geminin 0.0205 0.1858 0.1852
Echinococcus multilocularis chromobox protein 1 0.007 0.0559 0.0553
Toxoplasma gondii phosphofructokinase domain-containing protein 0.003 0.0166 0.0127
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0166 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0134 0.0134
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0166 0.0589
Schistosoma mansoni intermediate filament proteins 0.0027 0.0143 0.0123
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.004 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0013 0.0002 0.0002
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0472 0.0453
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0341 0.0334
Echinococcus granulosus neuropeptide receptor A26 0.0468 0.4404 0.4401
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0472 0.4283
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0341 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0341 0.0334
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0166 0.4201
Toxoplasma gondii thioredoxin reductase 0.0048 0.0341 0.0302
Echinococcus multilocularis musashi 0.0027 0.0143 0.0136
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0447 0.4199 0.4199
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.004 0.004
Plasmodium falciparum glutathione reductase 0.0048 0.0341 1
Schistosoma mansoni chromobox protein 0.007 0.0559 0.054
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.2186 0.218
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0472 0.0465
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0472 0.5023
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.0932 0.8837
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0166 0.0589
Brugia malayi follicle stimulating hormone receptor 0.0236 0.2162 0.2162
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0472 0.0453
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0472 0.0472
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0261 0.1028
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0389 0.3643 0.3643
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0166 1
Echinococcus granulosus 6 phosphofructokinase 0.011 0.094 0.0934
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.094 0.0695
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0261 0.1028
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0171 0.0164
Brugia malayi SET domain containing protein 0.0013 0.0002 0.0002
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.004 0.5
Onchocerca volvulus 0.0447 0.4199 1
Schistosoma mansoni hypothetical protein 0.0205 0.1858 0.1841
Schistosoma mansoni 6-phosphofructokinase 0.011 0.094 0.0922
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.004 0.0033
Brugia malayi Protein kinase domain containing protein 0.0015 0.002 0.002
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.004 0.004
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.0598 0.0592
Schistosoma mansoni hypothetical protein 0.0127 0.1108 0.109

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3078 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) 11.6891 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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

No literature references available for this target.

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