Detailed information for compound 329012

Basic information

Technical information
  • TDR Targets ID: 329012
  • Name: 5-chloro-3-[4-[4-(2,3-dihydro-1,4-benzodioxin -7-yl)piperazin-1-yl]butyl]-1H-indole
  • MW: 425.951 | Formula: C24H28ClN3O2
  • H donors: 1 H acceptors: 0 LogP: 5 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)OCCO3)c[nH]2
  • InChi: 1S/C24H28ClN3O2/c25-19-4-6-22-21(15-19)18(17-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(16-20)30-14-13-29-23/h4-7,15-17,26H,1-3,8-14H2
  • InChiKey: HAZSMOOIQWLRTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-3-[4-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-piperazinyl]butyl]-1H-indole
  • 5-chloro-3-[4-[4-(2,3-dihydro-1,4-benzodioxin-7-yl)piperazino]butyl]-1H-indole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
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
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) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Treponema pallidum sodium- and chloride- dependent transporter 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) 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
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_133249 All targets in OG5_133249
Schistosoma japonicum Sodium-dependent dopamine transporter, putative 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
Echinococcus multilocularis serotonin 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 japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Serotonin transporter   630 aa 638 aa 25.1 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 31.8 %
Onchocerca volvulus Transmembrane protein 120 homolog Serotonin transporter   630 aa 571 aa 31.2 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 582 aa 35.2 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 552 aa 41.5 %
Schistosoma mansoni sodium/chloride dependent transporter Serotonin transporter   630 aa 605 aa 37.7 %
Echinococcus granulosus sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Brugia malayi Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 576 aa 30.9 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Serotonin transporter   630 aa 509 aa 28.3 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Echinococcus multilocularis sodium and chloride dependent glycine Serotonin transporter   630 aa 617 aa 39.4 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Onchocerca volvulus Serotonin transporter   630 aa 611 aa 26.4 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Serotonin transporter   630 aa 629 aa 47.1 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Serotonin transporter   630 aa 520 aa 36.2 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Serotonin transporter   630 aa 585 aa 34.2 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Serotonin transporter   630 aa 581 aa 40.1 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.02 0.024 0.0268
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Echinococcus multilocularis calpain 7 (C02 family) 0.0704 0.2386 0.2664
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.2664
Loa Loa (eye worm) calpain 5 0.0505 0.1537 0.1678
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0704 0.2386 0.2664
Loa Loa (eye worm) hypothetical protein 0.2248 0.8956 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0704 0.2386 0.2664
Entamoeba histolytica calpain family cysteine protease, putative 0.02 0.024 0.156
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0742 0.2547 0.2844
Schistosoma mansoni Mername-AA248 (C02 family) 0.0704 0.2386 0.2355
Loa Loa (eye worm) calpain D 0.02 0.024 0.0224
Schistosoma mansoni calpain (C02 family) 0.0704 0.2386 0.2355
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.2248 0.8956 0.8952
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2248 0.8956 0.8952
Loa Loa (eye worm) hypothetical protein 0.0828 0.2911 0.322
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0689 0.2321 0.2592
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.1895 0.7453 0.7443
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.02 0.024 0.0941
Loa Loa (eye worm) calpain family protein 1 0.1895 0.7453 0.8315
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.2002 0.7909 0.8832
Trypanosoma cruzi calpain cysteine peptidase, putative 0.02 0.024 0.0268
Loa Loa (eye worm) calpain family protein 1 0.1391 0.5307 0.5907
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.9303
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.02 0.024 0.0941
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.02 0.024 0.0268
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.2248 0.8956 1
Echinococcus granulosus calpain A 0.0704 0.2386 0.2664
Schistosoma mansoni calpain C (C02 family) 0.0704 0.2386 0.2355
Echinococcus multilocularis serotonin receptor 0.0153 0.004 0.0045
Trypanosoma brucei cysteine peptidase C (CPC) 0.0742 0.2547 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0704 0.2386 0.2664
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.02 0.024 0.0941
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0742 0.2547 0.2517
Brugia malayi calpain family protein 1 0.1895 0.7453 0.8276
Giardia lamblia Cathepsin B precursor 0.0742 0.2547 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.2002 0.7909 0.7901
Echinococcus multilocularis calpain A 0.2003 0.7912 0.8834
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.02 0.024 0.0941
Schistosoma mansoni calpain-2 (C02 family) 0.02 0.024 0.02
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.02 0.024 0.0268
Echinococcus multilocularis calpain family protein 1, d 0.1391 0.5307 0.5925
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0941
Brugia malayi calpain 5 0.0505 0.1537 0.1488
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.2664
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0203 0.0254 0.024
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.9303
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.2002 0.7909 0.8832
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Loa Loa (eye worm) cathepsin B 0.0742 0.2547 0.2811
Trypanosoma brucei calpain-like protein, putative 0.0704 0.2386 0.9369
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0941
Echinococcus multilocularis calpain 0.0704 0.2386 0.2664
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0742 0.2547 1
Giardia lamblia Cathepsin B precursor 0.0742 0.2547 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0203 0.0254 0.0017
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Plasmodium vivax calpain, putative 0.0704 0.2386 0.5
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.02 0.024 0.0268
Trypanosoma brucei Calpain-like protein 1.1 0.02 0.024 0.0941
Brugia malayi cathepsin B-like cysteine proteinase 0.2248 0.8956 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0689 0.2321 0.2592
Echinococcus granulosus cathepsin b 0.2248 0.8956 1
Loa Loa (eye worm) hypothetical protein 0.1191 0.4457 0.4954
Trypanosoma brucei kinesin, putative 0.0505 0.1537 0.6034
Brugia malayi calpain 7 0.0704 0.2386 0.2463
Trypanosoma brucei Calpain-like protein 1.2 0.02 0.024 0.0941
Trypanosoma brucei calpain-like protein, putative 0.0704 0.2386 0.9369
Trichomonas vaginalis conserved hypothetical protein 0.02 0.024 0.0941
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0742 0.2547 1
Trichomonas vaginalis calpain, putative 0.02 0.024 0.0941
Trypanosoma cruzi kinesin, putative 0.0505 0.1537 0.1716
Entamoeba histolytica calpain large subunit domain III containing protein 0.0505 0.1537 1
Trypanosoma brucei calpain-like protein, putative 0.0704 0.2386 0.9369
Trypanosoma brucei Calpain-like protein CALP1.3 0.02 0.024 0.0941
Schistosoma mansoni calpain-7 (C02 family) 0.0704 0.2386 0.2355
Trypanosoma cruzi conserved protein 0.02 0.024 0.0268
Onchocerca volvulus 0.1191 0.4457 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0704 0.2386 0.2664
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.02 0.024 0.0268
Echinococcus multilocularis calpain 5 0.0704 0.2386 0.2664
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0828 0.2911 0.3065
Trypanosoma brucei calpain, putative 0.02 0.024 0.0941
Echinococcus multilocularis cathepsin b 0.2248 0.8956 1
Trypanosoma brucei hypothetical protein 0.02 0.024 0.0941
Trypanosoma brucei Calpain-like protein 2 0.02 0.024 0.0941
Trichomonas vaginalis calpain, putative 0.02 0.024 0.0941
Schistosoma mansoni calpain-7 (C02 family) 0.0704 0.2386 0.2355
Echinococcus multilocularis serotonin receptor 0.0153 0.004 0.0045
Trypanosoma brucei calpain, putative 0.02 0.024 0.0941
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.9303
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0941
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.02 0.024 0.0941
Loa Loa (eye worm) calpain 0.0704 0.2386 0.2631
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.02 0.024 0.0268
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.2664
Loa Loa (eye worm) hypothetical protein 0.1895 0.7453 0.8315
Schistosoma mansoni hypothetical protein 0.02 0.024 0.02
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0704 0.2386 0.2664
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.02 0.024 0.0941
Trypanosoma brucei cysteine peptidase, putative 0.02 0.024 0.0941
Trypanosoma brucei cytoskeleton-associated protein CAP5.5, putative 0.02 0.024 0.0941
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.02 0.024 0.0268
Trypanosoma brucei antigen, putative 0.0704 0.2386 0.9369
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.02 0.024 0.0268
Echinococcus granulosus calpain 0.0704 0.2386 0.2664
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.9369
Giardia lamblia Cathepsin B precursor 0.0742 0.2547 0.5
Loa Loa (eye worm) hypothetical protein 0.1696 0.6604 0.7362
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0704 0.2386 0.9369
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Loa Loa (eye worm) hypothetical protein 0.1391 0.5307 0.5907
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0453 0.1319 0.1284
Trypanosoma brucei calpain-like protein, putative 0.0704 0.2386 0.9369
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2248 0.8956 0.8952
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.2248 0.8956 0.8952
Echinococcus granulosus calpain A 0.2003 0.7912 0.8834
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Echinococcus granulosus calpain 5 0.0704 0.2386 0.2664
Echinococcus granulosus calpain 7 C02 family 0.0704 0.2386 0.2664
Trichomonas vaginalis calpain, putative 0.02 0.024 0.0941
Echinococcus multilocularis cathepsin b 0.2248 0.8956 1
Trichomonas vaginalis hypothetical protein 0.02 0.024 0.0941
Echinococcus multilocularis hypothetical protein 0.0704 0.2386 0.2664
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0704 0.2386 0.2664
Echinococcus granulosus biogenic amine 5HT receptor 0.0153 0.004 0.0045
Plasmodium falciparum calpain 0.02 0.024 0.5
Echinococcus granulosus cathepsin b 0.2248 0.8956 1
Trypanosoma cruzi kinesin, putative 0.0505 0.1537 0.1716
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.2002 0.7909 0.7901
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.02 0.024 0.0941
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0704 0.2386 0.2664
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.02 0.024 0.0268
Toxoplasma gondii cathepsin B 0.0742 0.2547 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.02 0.024 0.0268
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.02 0.024 0.0941
Entamoeba histolytica protein kinase, putative 0.0505 0.1537 1
Brugia malayi calpain family protein 1 0.1895 0.7453 0.8276
Loa Loa (eye worm) hypothetical protein 0.02 0.024 0.0224
Leishmania major kinesin, putative 0.0505 0.1537 0.5622

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 20 nM Inhibition of [3H]-5-HT re-uptake in rat synaptosomes ChEMBL. 15341484
IC50 (binding) = 20 nM Inhibition of [3H]-5-HT re-uptake in rat synaptosomes ChEMBL. 15341484
IC50 (binding) = 40 nM Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells ChEMBL. 15341484
IC50 (binding) = 40 nM Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expresssed in CHO cells ChEMBL. 15341484
IC50 (binding) > 100 nM Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes ChEMBL. 15341484
IC50 (binding) > 100 nM Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes ChEMBL. 15341484

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.
 
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

1 literature reference was collected for this gene.

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