Detailed information for compound 153645

Basic information

Technical information
  • TDR Targets ID: 153645
  • Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-m ethoxy-4-(2-methylpropanoylamino)benzamide
  • MW: 429.94 | Formula: C23H28ClN3O3
  • H donors: 2 H acceptors: 2 LogP: 3.75 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)C(C)C)c(cc1C(=O)N[C@H]1CCN(C1)Cc1ccccc1)Cl
  • InChi: 1S/C23H28ClN3O3/c1-15(2)22(28)26-20-12-21(30-3)18(11-19(20)24)23(29)25-17-9-10-27(14-17)13-16-7-5-4-6-8-16/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,29)(H,26,28)/t17-/m0/s1
  • InChiKey: KOGDZZNXDVXRTP-KRWDZBQOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(3S)-1-benzyl-3-pyrrolidinyl]-5-chloro-2-methoxy-4-[(2-methyl-1-oxopropyl)amino]benzamide
  • 5-chloro-2-methoxy-4-(2-methylpropanoylamino)-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]benzamide
  • N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-4-(isobutyrylamino)-2-methoxy-benzamide
  • 5-chloro-2-methoxy-4-[(2-methyl-1-oxopropyl)amino]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]benzamide
  • N-[(3S)-1-(benzyl)pyrrolidin-3-yl]-5-chloro-4-(isobutyrylamino)-2-methoxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Rattus norvegicus Dopamine D3 receptor Starlite/ChEMBL References
Homo sapiens dopamine receptor D4 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus alpha 1A adrenergic receptor Dopamine D3 receptor   446 aa 460 aa 21.1 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D3 receptor   446 aa 426 aa 28.6 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Dopamine D3 receptor   446 aa 463 aa 25.5 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Loa Loa (eye worm) hypothetical protein Dopamine D3 receptor   446 aa 425 aa 21.4 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D3 receptor   446 aa 501 aa 28.5 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Echinococcus multilocularis biogenic amine (5HT) receptor Dopamine D3 receptor   446 aa 499 aa 30.9 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Schistosoma mansoni amine GPCR Dopamine D3 receptor   446 aa 420 aa 31.4 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Onchocerca volvulus Dopamine D3 receptor   446 aa 462 aa 26.0 %
Echinococcus multilocularis alpha 1A adrenergic receptor Dopamine D3 receptor   446 aa 473 aa 21.6 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus Dopamine D3 receptor   446 aa 434 aa 19.4 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D3 receptor   446 aa 478 aa 22.8 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D3 receptor   446 aa 463 aa 29.8 %
Loa Loa (eye worm) TYRA-2 protein Dopamine D3 receptor   446 aa 494 aa 24.3 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D3 receptor   446 aa 489 aa 22.9 %
Schistosoma mansoni biogenic amine receptor Dopamine D3 receptor   446 aa 455 aa 28.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0792 0.1635 0.1635
Loa Loa (eye worm) hypothetical protein 0.0279 0.0526 0.0526
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0036 0.0003 0.0006
Brugia malayi hypothetical protein 0.0314 0.0601 0.0601
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0061 0.0056 0.0056
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0026 0.0026
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0792 0.1635 0.1635
Toxoplasma gondii serine carboxypeptidase s28 protein 0.0061 0.0056 0.0341
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0265 0.0265
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0061 0.0056 0.0056
Brugia malayi RNA, U transporter 1 0.0064 0.0061 0.0061
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.0265 0.0265
Brugia malayi Serine protease Z688.6 precursor 0.0061 0.0056 0.0056
Onchocerca volvulus 0.4667 1 1
Brugia malayi Serine protease Z688.6 precursor 0.0061 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0102 0.0144 0.0144
Schistosoma mansoni alpha-glucosidase 0.0136 0.0218 0.0218
Trypanosoma brucei unspecified product 0.0036 0.0003 0.0006
Schistosoma mansoni DNA polymerase eta 0.0036 0.0003 0.0003
Echinococcus multilocularis GPCR, family 2 0.0047 0.0026 0.0026
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0792 0.1635 0.1635
Toxoplasma gondii kinesin motor domain-containing protein 0.0198 0.0352 0.2153
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0036 0.0003 0.0003
Brugia malayi ImpB/MucB/SamB family protein 0.0036 0.0003 0.0003
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2231 0.4742 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0279 0.0526 0.0526
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0792 0.1635 0.1635
Loa Loa (eye worm) hypothetical protein 0.0285 0.054 0.054
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Schistosoma mansoni terminal deoxycytidyl transferase 0.0036 0.0003 0.0003
Schistosoma mansoni sodium/chloride dependent transporter 0.4667 1 1
Echinococcus multilocularis snurportin 1 0.0238 0.0439 0.0439
Loa Loa (eye worm) hypothetical protein 0.0279 0.0526 0.0526
Echinococcus granulosus sodium and chloride dependent glycine 0.0792 0.1635 0.1635
Leishmania major C-8 sterol isomerase-like protein 0.2231 0.4742 1
Giardia lamblia Kinesin-5 0.0198 0.0352 1
Entamoeba histolytica kinesin, putative 0.0198 0.0352 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.0246 0.0246
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0792 0.1635 0.1635
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0036 0.0003 0.0003
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0003 0.0006
Echinococcus granulosus dna polymerase kappa 0.0036 0.0003 0.0003
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0792 0.1635 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0349 0.0677 0.0677
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0061 0.0056 0.1584
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.0246 0.0246
Echinococcus granulosus dna polymerase eta 0.0036 0.0003 0.0003
Leishmania major DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Giardia lamblia Thymus-specific serine protease precursor 0.0061 0.0056 0.152
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.0265 0.0265
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Loa Loa (eye worm) MH2 domain-containing protein 0.0349 0.0677 0.0677
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0792 0.1635 0.1635
Loa Loa (eye worm) hypothetical protein 0.0061 0.0056 0.0056
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0061 0.0056 1
Trypanosoma brucei DNA polymerase eta, putative 0.0036 0.0003 0.0006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0026 0.0026
Schistosoma mansoni sodium/chloride dependent transporter 0.0792 0.1635 0.1635
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0238 0.0439 0.0439
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0265 0.0265
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0792 0.1635 0.1635
Echinococcus multilocularis dna polymerase eta 0.0036 0.0003 0.0003
Mycobacterium ulcerans DNA polymerase IV 0.0036 0.0003 0.5
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.2231 0.4742 0.4742
Loa Loa (eye worm) hypothetical protein 0.0792 0.1635 0.1635
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.0246 0.0246
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0036 0.0003 0.5
Echinococcus granulosus expressed protein 0.04 0.0788 0.0788
Loa Loa (eye worm) hypothetical protein 0.0792 0.1635 0.1635
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0061 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0792 0.1635 0.1635
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0003 0.0006
Loa Loa (eye worm) hypothetical protein 0.0792 0.1635 0.1635
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0792 0.1635 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0285 0.054 0.054
Trichomonas vaginalis lysosomal pro-X carboxypeptidase, putative 0.0061 0.0056 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.0265 0.0265
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.0061 0.0056 0.0118
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0061 0.0056 0.1584
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0792 0.1635 0.1635
Brugia malayi Kinesin motor domain containing protein 0.0198 0.0352 0.0352
Entamoeba histolytica deoxycytidyl transferase, putative 0.0036 0.0003 0.0075
Loa Loa (eye worm) hypothetical protein 0.2231 0.4742 0.4742
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.4667 1 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0198 0.0352 0.0352
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0036 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.0176 0.0304 0.0304
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0285 0.054 0.054
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0056 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0026 0.0026
Echinococcus granulosus snurportin 1 0.0238 0.0439 0.0439
Giardia lamblia Serine peptidase, putative 0.0061 0.0056 0.152
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Echinococcus multilocularis expressed protein 0.04 0.0788 0.0788
Onchocerca volvulus 0.0792 0.1635 0.1588
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0792 0.1635 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0792 0.1635 0.1635
Echinococcus multilocularis sodium and chloride dependent glycine 0.0792 0.1635 0.1635
Entamoeba histolytica serine carboxypeptidase (S28) family protein 0.0061 0.0056 0.1584
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0842 0.1741 0.1741
Loa Loa (eye worm) hypothetical protein 0.1141 0.2387 0.2387
Onchocerca volvulus 0.0792 0.1635 0.1588
Loa Loa (eye worm) serotonin transporter b 0.4667 1 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Plasmodium falciparum transporter, putative 0.0792 0.1635 1
Loa Loa (eye worm) hypothetical protein 0.0792 0.1635 0.1635
Plasmodium vivax amine transporter, putative 0.0792 0.1635 1
Echinococcus granulosus kinesin family 1 0.1525 0.3216 0.3216
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Onchocerca volvulus 0.0792 0.1635 0.1588
Schistosoma mansoni hypothetical protein 0.0047 0.0026 0.0026
Toxoplasma gondii hypothetical protein 0.0792 0.1635 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Toxoplasma gondii hypothetical protein 0.0792 0.1635 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0792 0.1635 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0792 0.1635 0.1635
Schistosoma mansoni lipoxygenase 0.0088 0.0115 0.0115
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0792 0.1635 0.1635
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0036 0.0003 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0056 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Loa Loa (eye worm) norepinephrine transporter 0.4667 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Echinococcus multilocularis geminin 0.0176 0.0304 0.0304
Schistosoma mansoni hypothetical protein 0.0102 0.0144 0.0144
Trypanosoma cruzi serine carboxypeptidase S28, putative 0.0061 0.0056 0.0118
Leishmania major DNA polymerase eta, putative 0.0036 0.0003 0.0006
Loa Loa (eye worm) hypothetical protein 0.0314 0.0601 0.0601
Plasmodium falciparum amino acid transporter, putative 0.0792 0.1635 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0026 0.0026
Onchocerca volvulus 0.0091 0.0122 0.0066
Schistosoma mansoni kinesin eg-5 0.0198 0.0352 0.0352
Trypanosoma cruzi DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Trypanosoma brucei DNA polymerase IV, putative 0.0036 0.0003 0.0006
Brugia malayi MH2 domain containing protein 0.0349 0.0677 0.0677
Echinococcus multilocularis sodium and chloride dependent glycine 0.0792 0.1635 0.1635
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Schistosoma mansoni sodium/chloride dependent transporter 0.0792 0.1635 0.1635
Schistosoma mansoni alpha-glucosidase 0.0136 0.0218 0.0218
Brugia malayi NNMT/PNMT/TEMT family protein 0.0285 0.054 0.054
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.0197 0.0197
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0792 0.1635 0.1635
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0279 0.0526 0.0526
Echinococcus granulosus serotonin transporter 0.4667 1 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Plasmodium vivax hypothetical protein, conserved 0.0792 0.1635 1
Schistosoma mansoni hypothetical protein 0.0047 0.0026 0.0026
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0279 0.0526 0.0526
Echinococcus granulosus GPCR family 2 0.0047 0.0026 0.0026
Schistosoma mansoni sodium-dependent amino acid transporter 0.0792 0.1635 0.1635
Echinococcus multilocularis dna polymerase kappa 0.0036 0.0003 0.0003
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0792 0.1635 0.1635
Schistosoma mansoni hypothetical protein 0.0176 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.4667 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0792 0.1635 0.1635
Brugia malayi Serine carboxypeptidase S28 family protein 0.0279 0.0526 0.0526
Trypanosoma brucei C-8 sterol isomerase, putative 0.2231 0.4742 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0026 0.0026
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0061 0.0056 0.0056
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.0144 0.0144
Echinococcus granulosus geminin 0.0176 0.0304 0.0304
Treponema pallidum sodium- and chloride- dependent transporter 0.4667 1 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0036 0.0003 0.0003
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Schistosoma mansoni lipoxygenase 0.0126 0.0197 0.0197
Loa Loa (eye worm) solute carrier family 6 member 4 0.4667 1 1
Loa Loa (eye worm) hypothetical protein 0.4667 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.4667 1 1
Brugia malayi hypothetical protein 0.0792 0.1635 0.1635
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.0197 0.0197
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0036 0.0003 0.0476
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.0003 0.0006
Schistosoma mansoni hypothetical protein 0.0238 0.0439 0.0439
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0036 0.0003 0.0003
Trichomonas vaginalis DNA polymerase eta, putative 0.0036 0.0003 0.0476
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0026 0.0026
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0792 0.1635 0.1635
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0003 0.0006
Echinococcus multilocularis kinesin family 1 0.1525 0.3216 0.3216
Schistosoma mansoni hypothetical protein 0.0047 0.0026 0.0026
Mycobacterium ulcerans DNA polymerase IV 0.0036 0.0003 0.5
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0061 0.0056 1
Echinococcus multilocularis serotonin transporter 0.4667 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0792 0.1635 0.1635
Trypanosoma cruzi putative prolyl carboxypeptidase, putative 0.0061 0.0056 0.0118
Onchocerca volvulus 0.0314 0.0601 0.0549
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0792 0.1635 0.1635
Schistosoma mansoni hypothetical protein 0.1327 0.2789 0.2789
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0026 0.0026
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.0279 0.0526 0.0526

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) mg kg-1 Compound was tested for inhibition of Apomorphine induced climbing in Mice; NT =' Not tested' ChEMBL. 8709107
ED50 (functional) 0 mg kg-1 Compound was tested for inhibition of Apomorphine induced climbing in Mice; NT =' Not tested' ChEMBL. 8709107
Ki (binding) = 3 nM Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand ChEMBL. 8709107
Ki (binding) = 3 nM Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand ChEMBL. 8709107
Ki (binding) = 15 nM Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand ChEMBL. 8709107
Ki (binding) = 15 nM Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand ChEMBL. 8709107
Ki (binding) = 50 nM Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand ChEMBL. 8709107
Ki (binding) = 50 nM Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand ChEMBL. 8709107

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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