Detailed information for compound 159770

Basic information

Technical information
  • TDR Targets ID: 159770
  • Name: 2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoro methyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1 -yl]ethanol
  • MW: 408.432 | Formula: C22H24F4N2O
  • H donors: 1 H acceptors: 1 LogP: 3.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)[C@@H]1C[C@H](c2c1cc(cc2)C(F)(F)F)c1ccc(cc1)F
  • InChi: 1S/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2/t19-,21+/m0/s1
  • InChiKey: JSBWGXQXCRYYTG-PZJWPPBQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]piperazin-1-yl]ethanol
  • 2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)-1-indanyl]-1-piperazinyl]ethanol
  • 2-[4-[(1R,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]piperazino]ethanol
  • tefludazine
  • 80273-79-6
  • 80680-06-4
  • Tefludazinum [Latin]
  • trans-4-(3-(p-Fluorophenyl)-6-(trifluoromethyl)-1-indanyl)-1-piperazineethanol
  • 1-Piperazineethanol, 4-(3-(4-fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-indel-1-yl)-, trans-(+-)-
  • 2-(4-(trans-3-(4-Fluorphenyl-6-trifluormethyl-1-indanyl)-1-piperazinyl)ethanol
  • Lu 18-012
  • Tefludazina [Spanish]
  • Tefludazine [INN]

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Rattus norvegicus Dopamine D1 receptor Starlite/ChEMBL References
Rattus norvegicus Serotonin 2 (5-HT2) receptor Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum 5-hydroxytryptamine receptor, putative Get druggable targets OG5_132667 All targets in OG5_132667
Schistosoma japonicum 5-hydroxytryptamine receptor 1, putative Get druggable targets OG5_132667 All targets in OG5_132667
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis neuropeptides capa receptor Serotonin 2 (5-HT2) receptor   460 aa 408 aa 20.8 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Loa Loa (eye worm) hypothetical protein Dopamine D1 receptor   446 aa 370 aa 24.9 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Dopamine D1 receptor   446 aa 407 aa 33.7 %
Schistosoma mansoni biogenic amine (5HT) receptor Dopamine D1 receptor   446 aa 394 aa 29.9 %
Onchocerca volvulus Dopamine D1 receptor   446 aa 357 aa 21.0 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D1 receptor   446 aa 366 aa 35.2 %
Echinococcus granulosus g protein coupled receptor Serotonin 2 (5-HT2) receptor   460 aa 409 aa 21.8 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Echinococcus multilocularis g protein coupled receptor Serotonin 2 (5-HT2) receptor   460 aa 409 aa 21.5 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D1 receptor   446 aa 373 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1204 0.0667 0.99
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0294 0.0107 0.0564
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0294 0.0107 0.0316
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1213 0.0673 0.1999
Entamoeba histolytica protein kinase rad3, putative 0.0673 0.034 0.4452
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.024 0.0073 0.1068
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0294 0.0107 0.0071
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0294 0.0107 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.0667 0.99
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.0667 0.99
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0685 0.0347 0.4568
Onchocerca volvulus 0.024 0.0073 0.1217
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1235 0.0686 0.0666
Loa Loa (eye worm) phosphatidylinositol 3 0.024 0.0073 0.1089
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0758 0.0392 0.5324
Loa Loa (eye worm) hypothetical protein 0.0673 0.034 0.5056
Echinococcus multilocularis Zinc finger, PHD finger 0.0294 0.0107 0.0071
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0308 0.0115 0.0696
Plasmodium vivax aspartyl protease, putative 0.0657 0.033 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0433 0.0192 0.1983
Trichomonas vaginalis PIKK family atypical protein kinase 0.0705 0.036 0.4776
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0362 0.0148 0.0111
Plasmodium vivax aspartyl protease, putative 0.0657 0.033 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.024 0.0073 0.0217
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0657 0.033 0.4336
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0552 0.0265 0.3203
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1235 0.0686 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1213 0.0673 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0657 0.033 0.03
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 0.0352 0.4651
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0294 0.0107 0.1555
Plasmodium falciparum plasmepsin X 0.0657 0.033 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0362 0.0148 0.1253
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Loa Loa (eye worm) hypothetical protein 0.019 0.0042 0.0627
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0256 0.0083 0.0245
Loa Loa (eye worm) phosphatidylinositol kinase 0.024 0.0073 0.1089
Loa Loa (eye worm) hypothetical protein 0.0182 0.0038 0.0561
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.024 0.0073 0.0037
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1213 0.0673 0.0652
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1213 0.0673 0.1744
Trichomonas vaginalis PIKK family atypical protein kinase 0.077 0.04 0.5448
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.0667 0.99
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.0665 0.9875
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0484 0.0224 0.2507
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0294 0.0107 0.1301
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1193 0.066 0.9792
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0362 0.0148 0.1253
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.0667 0.99
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0294 0.0107 0.1301
Plasmodium falciparum plasmepsin IX 0.0657 0.033 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0656 0.0329 0.0978
Trichomonas vaginalis conserved hypothetical protein 0.0433 0.0192 0.1983
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.1213 0.0673 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1191 0.0659 0.9775
Plasmodium falciparum plasmepsin III 0.0657 0.033 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1213 0.0673 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0508 0.0238 0.0206
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0673 0.034 0.0311
Loa Loa (eye worm) hypothetical protein 0.0657 0.033 0.4904
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1213 0.0673 0.1744
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0838 0.0442 0.0415
Loa Loa (eye worm) norepinephrine transporter 0.0182 0.0038 0.0561
Plasmodium falciparum plasmepsin II 0.0657 0.033 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0466 0.0212 0.0179
Loa Loa (eye worm) hypothetical protein 0.024 0.0073 0.1089
Loa Loa (eye worm) phosphatidylinositol 3 0.024 0.0073 0.1089
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0449 0.0202 0.0599
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.024 0.0073 0.0217
Loa Loa (eye worm) phosphatidylinositol 3 0.1193 0.066 0.9815
Brugia malayi aspartic protease BmAsp-1, identical 0.0657 0.033 0.4809
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0415 0.0181 0.1801
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0656 0.0329 0.4269
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0673 0.034 0.4958
Trichomonas vaginalis PIKK family atypical protein kinase 0.1182 0.0653 0.9675
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0748 0.0386 0.529
Trichomonas vaginalis conserved hypothetical protein 0.0508 0.0238 0.2755
Plasmodium falciparum plasmepsin VIII, putative 0.0657 0.033 1
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 1.598 0.977 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0656 0.0329 0.4269
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0838 0.0442 0.0405
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0294 0.0107 0.0557
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0294 0.0107 0.0557
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0294 0.0107 0.0557
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0689 0.035 0.4611
Trichomonas vaginalis PIKK family atypical protein kinase 0.1182 0.0653 0.9675
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0689 0.035 0.0313
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0362 0.0148 0.044
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1193 0.066 0.1707
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1235 0.0686 0.0651
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0466 0.0212 0.0179
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0294 0.0107 0.0071
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0657 0.033 0.4281
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.0665 0.9875
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0294 0.0107 0.0071
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1213 0.0673 1
Onchocerca volvulus 0.024 0.0073 0.1217
Echinococcus granulosus serine protein kinase ATM 0.0689 0.035 0.0321
Mycobacterium tuberculosis Conserved hypothetical protein 0.024 0.0073 0.5
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.024 0.0073 0.0037
Toxoplasma gondii aspartyl protease ASP1 0.0657 0.033 0.4336
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0182 0.0038 0.055
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.024 0.0073 0.0036
Onchocerca volvulus 0.0657 0.033 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0294 0.0107 0.0557
Plasmodium vivax aspartyl proteinase, putative 0.0657 0.033 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.024 0.0073 0.0037
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0656 0.0329 0.4269
Trypanosoma cruzi target of rapamycin kinase 3 0.1204 0.0667 0.1982
Schistosoma mansoni fkbp-rapamycin associated protein 0.0673 0.034 0.0304
Loa Loa (eye worm) hypothetical protein 0.0657 0.033 0.4904
Plasmodium falciparum plasmepsin V 0.0657 0.033 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0398 0.0171 0.1624
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 0.0352 0.4651
Trichomonas vaginalis PIKK family atypical protein kinase 0.0695 0.0354 0.4676
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0508 0.0238 0.0206
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.0665 0.9875
Loa Loa (eye worm) aspartyl protease 6 0.0657 0.033 0.4904
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1213 0.0673 0.9806
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0466 0.0212 0.3095
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1235 0.0686 0.2039
Schistosoma mansoni cathepsin D (A01 family) 0.0657 0.033 0.0293
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1182 0.0653 0.9675
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0294 0.0107 0.0097
Echinococcus multilocularis serine protein kinase ATM 0.0689 0.035 0.0321
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0294 0.0107 0.0557
Trichomonas vaginalis PIKK family atypical protein kinase 0.1194 0.0661 0.9801
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1213 0.0673 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0673 0.034 0.101
Plasmodium falciparum plasmepsin VI 0.0657 0.033 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0656 0.0329 0.4799
Plasmodium falciparum plasmepsin IV 0.0657 0.033 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1235 0.0686 0.2039
Plasmodium falciparum plasmepsin I 0.0657 0.033 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1182 0.0653 0.9675
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1213 0.0673 1
Entamoeba histolytica hypothetical protein 0.0588 0.0288 0.3574
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0656 0.0329 0.4269
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0294 0.0107 0.0069
Schistosoma mansoni phosphatidylinositol 4-kinase 0.024 0.0073 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.1193 0.066 0.9792
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Giardia lamblia GTOR 0.1213 0.0673 1
Loa Loa (eye worm) hypothetical protein 0.0508 0.0238 0.3544
Brugia malayi Pepsin A precursor 0.0657 0.033 0.4809
Loa Loa (eye worm) phosphatidylinositol 3 0.0122 0 0.0006
Plasmodium vivax plasmepsin V, putative 0.0657 0.033 1
Loa Loa (eye worm) hypothetical protein 0.0449 0.0202 0.2998
Trichomonas vaginalis PIKK family atypical protein kinase 0.1191 0.0659 0.9775
Plasmodium vivax plasmepsin IV, putative 0.0657 0.033 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0182 0.0038 0.0561
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 0.0352 0.4651
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1235 0.0686 0.0666
Leishmania major hypothetical protein, conserved 0.582 0.3511 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0656 0.0329 0.0978
Loa Loa (eye worm) phosphatidylinositol 3 0.077 0.04 0.5945
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0294 0.0107 0.0557
Toxoplasma gondii target of rapamycin (TOR), putative 0.1201 0.0665 1
Echinococcus multilocularis 0.024 0.0073 0.0037
Loa Loa (eye worm) hypothetical protein 0.0657 0.033 0.4904
Loa Loa (eye worm) hypothetical protein 0.0748 0.0386 0.5744
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.0667 0.99
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0588 0.0288 0.3574
Schistosoma mansoni hypothetical protein 0.024 0.0073 0.0036
Loa Loa (eye worm) hypothetical protein 0.0466 0.0212 0.3156
Loa Loa (eye worm) serotonin transporter b 0.0182 0.0038 0.0561
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0657 0.033 0.03
Leishmania major phosphatidylinositol 3-kinase, putative 0.1182 0.0653 0.1687
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.024 0.0073 0.0037
Brugia malayi hypothetical protein 0.0657 0.033 0.4809
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0838 0.0442 0.0415
Trypanosoma cruzi hypothetical protein, conserved 0.558 0.3363 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1213 0.0673 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0689 0.035 0.4611
Loa Loa (eye worm) phosphatidylinositol 3 0.024 0.0073 0.1089
Brugia malayi FAT domain containing protein 0.0508 0.0238 0.3475
Trichomonas vaginalis PIKK family atypical protein kinase 0.1191 0.0659 0.9775
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0294 0.0107 0.1586
Toxoplasma gondii FATC domain-containing protein 0.0689 0.035 0.4669
Trichomonas vaginalis PIKK family atypical protein kinase 0.1191 0.0659 0.9775
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0182 0.0038 0.055
Toxoplasma gondii aspartyl protease ASP3 0.0657 0.033 0.4336
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0362 0.0148 0.1253
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Trichomonas vaginalis PIKK family atypical protein kinase 0.0673 0.034 0.4452
Trichomonas vaginalis PIKK family atypical protein kinase 0.1191 0.0659 0.9775
Plasmodium vivax aspartyl protease, putative 0.0657 0.033 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0038 0.0561
Schistosoma mansoni hypothetical protein 0.0508 0.0238 0.0201
Mycobacterium leprae conserved hypothetical protein 0.024 0.0073 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0657 0.033 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0256 0.0083 0.0028
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.598 0.977 1
Trichomonas vaginalis conserved hypothetical protein 0.0748 0.0386 0.5224
Loa Loa (eye worm) hypothetical protein 0.0182 0.0038 0.0561
Trichomonas vaginalis PIKK family atypical protein kinase 0.1191 0.0659 0.9775
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.024 0.0073 0.0037
Loa Loa (eye worm) phosphatidylinositol 3 0.024 0.0073 0.1089
Trichomonas vaginalis PIKK family atypical protein kinase 0.1191 0.0659 0.9775
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.0665 0.9875
Trichomonas vaginalis PIKK family atypical protein kinase 0.1182 0.0653 0.9675
Entamoeba histolytica hypothetical protein 0.0689 0.035 0.4611
Brugia malayi Eukaryotic aspartyl protease family protein 0.0657 0.033 0.4809
Brugia malayi aspartic protease BmAsp-2, identical 0.0657 0.033 0.4809
Loa Loa (eye worm) phosphatidylinositol 3 0.1213 0.0673 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.024 0.0073 0.0217
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.0665 0.9875
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0362 0.0148 0.1253
Leishmania major phosphatidylinositol 3-kinase, putative 0.0294 0.0107 0.0097
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.024 0.0073 0.0036
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.0079 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.1194 0.0661 0.9801
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.024 0.0073 0.1068
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0657 0.033 0.4904
Brugia malayi hypothetical protein 0.0657 0.033 0.4809
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0673 0.034 0.0311
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.0665 0.9875
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0552 0.0265 0.3203
Onchocerca volvulus 0.0657 0.033 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1213 0.0673 0.0652
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0657 0.033 0.0293
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0362 0.0148 0.1253
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0689 0.035 0.1039
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0362 0.0148 0.1253
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0657 0.033 0.4336
Toxoplasma gondii aspartyl protease 0.0657 0.033 0.4336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.0347 0.4568
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.024 0.0073 0.1068
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0362 0.0148 0.2163
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0294 0.0107 0.0564
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1213 0.0673 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0689 0.035 0.5097
Trichomonas vaginalis PIKK family atypical protein kinase 0.1201 0.0665 0.9875
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0294 0.0107 0.0069
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0657 0.033 0.4904
Plasmodium falciparum plasmepsin VII 0.0657 0.033 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1213 0.0673 0.1999
Treponema pallidum sodium- and chloride- dependent transporter 0.0182 0.0038 0.5
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1204 0.0667 0.1726
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.024 0.0073 0.0217
Schistosoma mansoni cathepsin D (A01 family) 0.0657 0.033 0.0293
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.026 0.0085 0.0199

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.071 uM kg-1 Inhibition of methyl phenidate induced stereotyped gnawing in mice ChEMBL. 2903929
ED50 (functional) = 0.12 uM kg-1 Tested in vivo for induction of catalepsy against D2 receptor in rats ChEMBL. 1348090
ED50 (functional) = 0.2 uM kg-1 Tested in vivo for methyl phenidate-induced gnawing behavior antagonistic activity against dopamine D2 receptor in mice ChEMBL. 1348090
IC50 (binding) = 2.8 nM Inhibition of [3H]-ketanserin binding to rat 5-hydroxytryptamine 2 receptors. ChEMBL. 1348090
IC50 (binding) = 3.1 nM Binding affinity at serotonin 5-hydroxytryptamine 2 receptor by [3H]-ketanserin displacement. ChEMBL. 8151622
IC50 (binding) = 3.1 nM Binding affinity at serotonin 5-hydroxytryptamine 2 receptor by [3H]-ketanserin displacement. ChEMBL. 8151622
IC50 (binding) = 8.4 nM Inhibition of [3H]-spiperone binding to 5-hydroxytryptamine 2 receptor from rat cortical membranes ChEMBL. 2903929
IC50 (binding) = 10 nM Tested for the inhibition of [3H]-spiperone binding to dopamine D2 receptor ChEMBL. 1348090
IC50 (binding) = 14 nM Binding affinity against Dopamine receptor D2 using [3H]-spiroperidol ChEMBL. 2892932
IC50 (binding) = 14 nM Binding affinity at dopamine D2 receptor by [3H]-Spiperone displacement. ChEMBL. 8151622
IC50 (binding) = 14 nM Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes ChEMBL. 8411003
IC50 (binding) = 14 nM Binding affinity against Dopamine receptor D2 using [3H]-spiroperidol ChEMBL. 2892932
IC50 (binding) = 14 nM Binding affinity at dopamine D2 receptor by [3H]-Spiperone displacement. ChEMBL. 8151622
IC50 (binding) = 14 nM Binding affinity towardst dopamine D2 receptor by displacement of [3H]-SPI radioligand in rat striatal membranes ChEMBL. 8411003
IC50 (binding) = 16 nM Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatal membranes ChEMBL. 2903929
IC50 (binding) = 17 nM Inhibition of [3H]-prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes ChEMBL. 2903929
IC50 (binding) = 19 nM Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes ChEMBL. 8411003
IC50 (binding) = 19 nM Binding affinity towards dopamine receptor D1 by displacement of [3H]-SCH- radioligand in rat striatal membranes ChEMBL. 8411003
IC50 (functional) = 2200 nM Inhibition of [3H]-dopamine uptake in rat brain synaptosomes ChEMBL. 2892932
IC50 (functional) = 15000 nM Inhibition of [3H]-norepinephrine uptake in rat brain synaptosomes ChEMBL. 2892932

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

4 literature references were collected for this gene.

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