Detailed information for compound 1816667

Basic information

Technical information
  • TDR Targets ID: 1816667
  • Name: (1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-[3-( 4-isothiocyanatophenyl)propyl]-8-azabicyclo[3 .2.1]octane
  • MW: 504.634 | Formula: C30H30F2N2OS
  • H donors: 0 H acceptors: 0 LogP: 8.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: S=C=Nc1ccc(cc1)CCCN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccc(cc1)F)c1ccc(cc1)F
  • InChi: 1S/C30H30F2N2OS/c31-24-9-5-22(6-10-24)30(23-7-11-25(32)12-8-23)35-29-18-27-15-16-28(19-29)34(27)17-1-2-21-3-13-26(14-4-21)33-20-36/h3-14,27-30H,1-2,15-19H2/t27-,28+,29+
  • InChiKey: TVUOOUQDGYWZPB-WLNZHLEZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax hypothetical protein, conserved Dopamine transporter   619 aa 657 aa 20.1 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Dopamine transporter   619 aa 578 aa 32.9 %
Neospora caninum sodium-dependent transporter, putative Dopamine transporter   619 aa 498 aa 32.3 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Dopamine transporter   619 aa 551 aa 39.9 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Dopamine transporter   619 aa 522 aa 36.0 %
Onchocerca volvulus Dopamine transporter   619 aa 612 aa 23.5 %
Echinococcus multilocularis sodium and chloride dependent glycine Dopamine transporter   619 aa 599 aa 41.9 %
Onchocerca volvulus Transmembrane protein 120 homolog Dopamine transporter   619 aa 578 aa 32.9 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Dopamine transporter   619 aa 557 aa 23.9 %
Echinococcus granulosus sodium and chloride dependent glycine Dopamine transporter   619 aa 594 aa 41.4 %
Brugia malayi Sodium:neurotransmitter symporter family protein Dopamine transporter   619 aa 578 aa 33.4 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Dopamine transporter   619 aa 636 aa 31.8 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Dopamine transporter   619 aa 509 aa 40.1 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Dopamine transporter   619 aa 599 aa 44.2 %
Schistosoma mansoni sodium/chloride dependent transporter Dopamine transporter   619 aa 588 aa 40.3 %
Schistosoma mansoni sodium/chloride dependent transporter Dopamine transporter   619 aa 558 aa 41.8 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Dopamine transporter   619 aa 604 aa 37.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.3387 0.3785 0.3734
Echinococcus granulosus Biotin lipoyl attachment 0.0311 0.0312 0.0234
Echinococcus granulosus dihydrofolate reductase 0.0383 0.0393 0.0315
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3387 0.3785 0.3785
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1205 0.1321 0.1321
Treponema pallidum pyruvate carboxylase subunit B 0.0311 0.0312 1
Echinococcus multilocularis Biotin lipoyl attachment 0.0311 0.0312 0.0234
Brugia malayi Carboxyl transferase domain containing protein 0.8581 0.9648 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1205 0.1321 0.2117
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.3387 0.3785 1
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0311 0.0312 0.0323
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0766 0.0825 0.1311
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3387 0.3785 0.6117
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0311 0.0312 0.0151
Brugia malayi dihydrofolate reductase family protein 0.0383 0.0393 0.0407
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.1205 0.1321 0.3233
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0311 0.0312 0.0151
Loa Loa (eye worm) solute carrier family 6 member 4 0.0109 0.0084 0.0087
Loa Loa (eye worm) hypothetical protein 0.0109 0.0084 0.0087
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1517 0.1672 0.5
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0311 0.0312 0.0037
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.3387 0.3785 0.3734
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1205 0.1321 0.1176
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0311 0.0312 0.0052
Loa Loa (eye worm) hypothetical protein 0.0311 0.0312 0.0323
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0109 0.0084 0.0084
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0311 0.0312 0.0782
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0279 0.0276 0.0114
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1205 0.1321 0.3349
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.1205 0.1321 0.3349
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0311 0.0312 0.0234
Mycobacterium ulcerans hypothetical protein 0.0311 0.0312 0.0626
Leishmania major acetyl-CoA carboxylase, putative 0.8893 1 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0084 0.0087
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0311 0.0312 0.0478
Brugia malayi hypothetical protein 0.0051 0.0017 0.0018
Loa Loa (eye worm) serotonin transporter b 0.0109 0.0084 0.0087
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1205 0.1321 0.1176
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0311 0.0312 0.0052
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0109 0.0084 0.0087
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.3387 0.3785 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0279 0.0276 0.0419
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0311 0.0312 0.0626
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.1205 0.1321 0.3349
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1205 0.1321 0.1251
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0311 0.0312 0.0234
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0766 0.0825 0.1476
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0311 0.0312 0.0626
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0018 0.0019
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0311 0.0312 0.0323
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0311 0.0312 0.0478
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.3387 0.3785 1
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0311 0.0312 0.0234
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.3387 0.3785 1
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0311 0.0312 0.0151
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0766 0.0825 0.0825
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0311 0.0312 0.0151
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1205 0.1321 0.2117
Brugia malayi thymidylate synthase 0.0106 0.008 0.0083
Trypanosoma cruzi acetyl-CoA carboxylase 0.5506 0.6176 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1205 0.1321 0.2905
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0311 0.0312 0.0478
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0279 0.0276 0.0114
Leishmania major carbamoyl-phosphate synthase, putative 0.0766 0.0825 0.0672
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.1205 0.1321 0.346
Echinococcus granulosus serotonin transporter 0.0109 0.0084 0.0004
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1205 0.1321 0.3349
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1205 0.1321 0.3349
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0766 0.0825 0.201
Chlamydia trachomatis dihydrofolate reductase 0.0383 0.0393 0.0259
Schistosoma mansoni dihydrofolate reductase 0.0383 0.0393 0.0393
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.8893 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0018 0.0019
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0018 0.0019
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.8581 0.9648 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0383 0.0393 0.0844
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1205 0.1321 0.1075
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0311 0.0312 0.0312
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3387 0.3785 0.3681
Chlamydia trachomatis biotin carboxylase 0.3076 0.3433 1
Loa Loa (eye worm) dihydrofolate reductase 0.0383 0.0393 0.0407
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0311 0.0312 0.0151
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0311 0.0312 0.0782
Schistosoma mansoni acetyl-CoA carboxylase 0.8893 1 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0766 0.0825 0.0825
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0311 0.0312 0.0478
Loa Loa (eye worm) hypothetical protein 0.0109 0.0084 0.0087
Schistosoma mansoni pyruvate carboxylase 0.3387 0.3785 0.3785
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3387 0.3785 0.3681
Trypanosoma cruzi squalene monooxygenase, putative 0.018 0.0164 0.0237
Schistosoma mansoni sodium/chloride dependent transporter 0.0109 0.0084 0.0084
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0311 0.0312 0.0151
Loa Loa (eye worm) hypothetical protein 0.0311 0.0312 0.0323
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.008 0.0167
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.1205 0.1321 0.346
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.1205 0.1321 0.3349
Loa Loa (eye worm) thymidylate synthase 0.0106 0.008 0.0083
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.3387 0.3785 0.3681
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0311 0.0312 0.0312
Toxoplasma gondii pyruvate carboxylase 0.3387 0.3785 0.3608
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.3387 0.3785 1
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0311 0.0312 0.0478
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1205 0.1321 0.1251
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.6435 0.7226 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3387 0.3785 0.3785
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0311 0.0312 0.0312
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0311 0.0312 0.0478
Toxoplasma gondii carbamoylphosphate synthetase 0.0766 0.0825 0.0565
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0311 0.0312 0.0052
Loa Loa (eye worm) norepinephrine transporter 0.0109 0.0084 0.0087
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1205 0.1321 0.1176
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0311 0.0312 0.0312
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3387 0.3785 0.6117
Loa Loa (eye worm) hypothetical protein 0.0311 0.0312 0.0323
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0311 0.0312 0.0037
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.8893 1 1
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0311 0.0312 0.0234
Onchocerca volvulus 0.0109 0.0084 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1205 0.1321 0.2117
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0311 0.0312 0.0782
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.8893 1 1
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0311 0.0312 0.0151
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0017 0.5
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0383 0.0393 0.0996
Echinococcus multilocularis serotonin transporter 0.0109 0.0084 0.0004
Plasmodium falciparum carbamoyl phosphate synthetase 0.0766 0.0825 0.079
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1517 0.1672 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0018 0.0019
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0311 0.0312 0.0478
Mycobacterium ulcerans pyruvate carboxylase 0.3387 0.3785 1
Trypanosoma brucei acetyl-CoA carboxylase 0.8893 1 1
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0311 0.0312 0.0037
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1205 0.1321 0.3349
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0311 0.0312 0.0052
Leishmania major carboxylase, putative 0.3387 0.3785 0.3681
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0311 0.0312 0.0037
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0311 0.0312 0.0037
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1205 0.1321 0.3349
Schistosoma mansoni aspartate carbamoyltransferase 0.0766 0.0825 0.0825
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0311 0.0312 0.0626
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0311 0.0312 0.0151
Trypanosoma brucei unspecified product 0.2227 0.2474 0.2349
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0311 0.0312 0.0323
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1205 0.1321 0.3349
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0766 0.0825 0.079
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.6435 0.7226 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.3387 0.3785 1
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0766 0.0825 0.1311
Trypanosoma cruzi squalene monooxygenase, putative 0.018 0.0164 0.0237
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.008 0.008
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.3387 0.3785 1
Echinococcus multilocularis dihydrofolate reductase 0.0383 0.0393 0.0315
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0766 0.0825 0.0672
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0311 0.0312 0.0626
Brugia malayi Dihydrofolate reductase 0.0383 0.0393 0.0407
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0383 0.0393 0.0844
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0311 0.0312 0.0052

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 611 nM Displacement of [3H]-WIN- 35 428 binding at dopamine transporter(DAT) in rat caudate putamen ChEMBL. 11728190

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

No literature references available for this target.

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