Detailed information for compound 1467768

Basic information

Technical information
  • TDR Targets ID: 1467768
  • Name: 1-[2-(1-adamantyl)ethoxy]-3-pyrrolidin-1-ylpr opan-2-ol hydrochloride
  • MW: 343.932 | Formula: C19H34ClNO2
  • H donors: 1 H acceptors: 1 LogP: 4.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCCC1)COCCC12CC3CC(C2)CC(C1)C3.Cl
  • InChi: 1S/C19H33NO2.ClH/c21-18(13-20-4-1-2-5-20)14-22-6-3-19-10-15-7-16(11-19)9-17(8-15)12-19;/h15-18,21H,1-14H2;1H
  • InChiKey: XQOKBXORMWIZQV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-(1-adamantyl)ethoxy]-3-pyrrolidin-1-yl-propan-2-ol hydrochloride
  • 1-[2-(1-adamantyl)ethoxy]-3-1-pyrrolidinylpropan-2-ol hydrochloride
  • T0502-1050
  • MLS001018820
  • SMR000363248

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) phosphatidylinositol 3 0.0792 0.0526 0.7198
Loa Loa (eye worm) phosphatidylinositol 3 0.0214 0.0108 0.1473
Schistosoma mansoni hypothetical protein 0.0214 0.0108 0.1439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0214 0.0108 0.0434
Trichomonas vaginalis PIKK family atypical protein kinase 0.0616 0.0399 0.4895
Trichomonas vaginalis PIKK family atypical protein kinase 0.1041 0.0706 0.9617
Echinococcus multilocularis serine protein kinase ATM 0.0611 0.0395 0.0395
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0214 0.0108 0.0173
Loa Loa (eye worm) phosphatidylinositol 3 0.1053 0.0715 0.9781
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1099 0.0748 0.0748
Leishmania major phosphatidylinositol kinase related protein, putative 0.0231 0.012 0.0035
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0214 0.0108 0.1439
Loa Loa (eye worm) hypothetical protein 0.0595 0.0383 0.5239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0214 0.0108 0.0434
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1075 0.0731 0.2001
Trichomonas vaginalis PIKK family atypical protein kinase 0.1054 0.0716 0.9765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0629 0.0408 0.5042
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0387 0.0232 0.2001
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.048 0.03 0.3089
Brugia malayi hypothetical protein 0.0148 0.006 0.0797
Trichomonas vaginalis PIKK family atypical protein kinase 0.038 0.0228 0.2279
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0214 0.0108 0.1439
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0273 0.0151 0.2058
Trichomonas vaginalis PIKK family atypical protein kinase 0.1065 0.0724 0.9882
Toxoplasma gondii FATC domain-containing protein 0.0611 0.0395 0.4685
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0554 0.0354 0.4209
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0273 0.0151 0.2011
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0595 0.0383 0.0383
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1075 0.0731 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0866 0.058 0.7748
Echinococcus multilocularis Zinc finger, PHD finger 0.0273 0.0151 0.0151
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0231 0.012 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0225 0.0115 0.0551
Loa Loa (eye worm) phosphatidylinositol 3 0.0214 0.0108 0.1473
Trichomonas vaginalis PIKK family atypical protein kinase 0.1051 0.0714 0.9735
Schistosoma mansoni hypothetical protein 0.0446 0.0276 0.3684
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0273 0.0151 0.0298
Entamoeba histolytica protein kinase rad3, putative 0.0595 0.0383 0.4417
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0667 0.0436 0.5466
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0866 0.058 0.058
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0347 0.0204 0.1544
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.0146 0.102
Leishmania major hypothetical protein, conserved 0.5056 0.3615 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0273 0.0151 0.0151
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0214 0.0108 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.0661 0.0431 0.5392
Loa Loa (eye worm) hypothetical protein 0.046 0.0286 0.391
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0595 0.0383 0.0383
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0214 0.0108 0.0108
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0453 0.0281 0.2772
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.0086 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0731 1
Giardia lamblia GTOR 0.1075 0.0731 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0671 0.0439 0.5306
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.0146 0.102
Trichomonas vaginalis PIKK family atypical protein kinase 0.1065 0.0724 0.9882
Trichomonas vaginalis PIKK family atypical protein kinase 0.1062 0.0722 0.9852
Trichomonas vaginalis PIKK family atypical protein kinase 0.1053 0.0715 0.9755
Echinococcus multilocularis geminin 0.0205 0.0101 0.0101
Echinococcus multilocularis 0.0214 0.0108 0.0108
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1065 0.0724 0.9877
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0214 0.0108 0.0108
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0273 0.0151 0.0151
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0273 0.0151 0.2011
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1075 0.0731 1
Onchocerca volvulus 0.0214 0.0108 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0273 0.0151 0.1091
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0273 0.0151 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1051 0.0714 0.9735
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1075 0.0731 0.1778
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.0146 0.102
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0611 0.0395 0.4613
Trypanosoma cruzi target of rapamycin kinase 3 0.1065 0.0724 0.1979
Schistosoma mansoni hypothetical protein 0.0205 0.0101 0.1346
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0214 0.0108 0.1439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0607 0.0392 0.4797
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0731 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0214 0.0108 0.1439
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1065 0.0724 0.1757
Schistosoma mansoni hypothetical protein 0.0205 0.0101 0.1346
Trichomonas vaginalis PIKK family atypical protein kinase 0.1065 0.0724 0.9882
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0611 0.0395 0.5283
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1099 0.0748 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0667 0.0436 0.5261
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0611 0.0395 0.1016
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0214 0.0108 0.0434
Mycobacterium leprae conserved hypothetical protein 0.0214 0.0108 0.5
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.046 0.0286 0.0286
Loa Loa (eye worm) phosphatidylinositol 3 0.0214 0.0108 0.1473
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0667 0.0436 0.5466
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0214 0.0108 0.0173
Loa Loa (eye worm) hypothetical protein 0.0397 0.024 0.3284
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0267 0.0146 0.195
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0347 0.0204 0.2726
Loa Loa (eye worm) phosphatidylinositol 3 0.1075 0.0731 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1075 0.0731 0.9772
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0347 0.0204 0.1544
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0214 0.0108 0.0434
Toxoplasma gondii target of rapamycin (TOR), putative 0.1062 0.0722 1
Onchocerca volvulus 0.0214 0.0108 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0128 0.0046 0.0623
Onchocerca volvulus Glucosylceramidase homolog 0.0175 0.0079 0.4111
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1053 0.0715 0.9744
Loa Loa (eye worm) hypothetical protein 0.0446 0.0276 0.377
Entamoeba histolytica hypothetical protein 0.0593 0.0382 0.4403
Trichomonas vaginalis PIKK family atypical protein kinase 0.1062 0.0722 0.9852
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0607 0.0392 0.4561
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0273 0.0151 0.1091
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0273 0.0151 0.0686
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0595 0.0383 0.0981
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1075 0.0731 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.046 0.0286 0.3821
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0214 0.0108 0.0108
Entamoeba histolytica hypothetical protein 0.0611 0.0395 0.4613
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0214 0.0108 0.0173
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.046 0.0286 0.0286
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.0395 0.4847
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0347 0.0204 0.1544
Loa Loa (eye worm) hypothetical protein 0.0207 0.0102 0.1399
Loa Loa (eye worm) phosphatidylinositol kinase 0.0214 0.0108 0.1473
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1075 0.0731 0.2001
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0611 0.0395 0.5283
Trichomonas vaginalis PIKK family atypical protein kinase 0.1062 0.0722 0.9852
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0554 0.0354 0.4209
Loa Loa (eye worm) hypothetical protein 0.0214 0.0108 0.1473
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0273 0.0151 0.0697
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1075 0.0731 0.9772
Trichomonas vaginalis PIKK family atypical protein kinase 0.1065 0.0724 0.9882
Trichomonas vaginalis conserved hypothetical protein 0.0446 0.0276 0.3011
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0199 0.0097 0.129
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0866 0.058 0.058
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1099 0.0748 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1075 0.0731 0.1778
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0661 0.0431 0.5264
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.0146 0.102
Loa Loa (eye worm) phosphatidylinositol 3 0.0214 0.0108 0.1473
Trichomonas vaginalis PIKK family atypical protein kinase 0.1051 0.0714 0.9735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0616 0.0399 0.4895
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0214 0.0108 0.0173
Trichomonas vaginalis PIKK family atypical protein kinase 0.1051 0.0714 0.9735
Trichomonas vaginalis conserved hypothetical protein 0.038 0.0228 0.2279
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0273 0.0151 0.0151
Schistosoma mansoni fkbp-rapamycin associated protein 0.0595 0.0383 0.512
Trichomonas vaginalis PIKK family atypical protein kinase 0.1051 0.0714 0.9735
Brugia malayi FAT domain containing protein 0.0446 0.0276 0.3684
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.0146 0.102
Brugia malayi Cytochrome P450 family protein 0.0128 0.0046 0.0608
Schistosoma mansoni hypothetical protein 0.035 0.0206 0.2754
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.0086 0.0105
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.3872 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0667 0.0436 0.1135
Trichomonas vaginalis PIKK family atypical protein kinase 0.1051 0.0714 0.9735
Loa Loa (eye worm) phosphatidylinositol 3 0.0133 0.0049 0.0667
Trichomonas vaginalis PIKK family atypical protein kinase 0.1051 0.0714 0.9735
Trichomonas vaginalis PIKK family atypical protein kinase 0.1041 0.0706 0.9617
Trichomonas vaginalis PIKK family atypical protein kinase 0.1062 0.0722 0.9852
Trichomonas vaginalis PIKK family atypical protein kinase 0.0618 0.04 0.4924
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0347 0.0204 0.2726
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0347 0.0204 0.1911
Trichomonas vaginalis PIKK family atypical protein kinase 0.1075 0.0731 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1041 0.0706 0.9617
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0347 0.0204 0.1911
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0667 0.0436 0.5466
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1099 0.0748 0.2051
Trypanosoma cruzi hypothetical protein, conserved 0.4842 0.3459 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0288 0.0161 0.0857
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0273 0.0151 0.0686
Trichomonas vaginalis PIKK family atypical protein kinase 0.0684 0.0448 0.5657
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0214 0.0108 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.1062 0.0722 0.9852
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0593 0.0382 0.4403
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0667 0.0436 0.1135
Trichomonas vaginalis PIKK family atypical protein kinase 0.1062 0.0722 0.9852
Loa Loa (eye worm) hypothetical protein 0.0148 0.006 0.0816
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.0117 0.0117
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0273 0.0151 0.1091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0595 0.0383 0.4659
Trichomonas vaginalis PIKK family atypical protein kinase 0.1041 0.0706 0.9617
Loa Loa (eye worm) hypothetical protein 0.0148 0.006 0.0816
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0446 0.0276 0.0276
Mycobacterium tuberculosis Conserved hypothetical protein 0.0214 0.0108 0.5
Loa Loa (eye worm) hypothetical protein 0.0661 0.0431 0.5892
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0667 0.0436 0.5823
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.0146 0.102
Trichomonas vaginalis PIKK family atypical protein kinase 0.1062 0.0722 0.9852
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0595 0.0383 0.512
Trichomonas vaginalis PIKK family atypical protein kinase 0.1065 0.0724 0.9882
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1099 0.0748 0.0748
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0235 0.0123 0.0246
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0347 0.0204 0.0455
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0273 0.0151 0.0686
Leishmania major phosphatidylinositol 3-kinase, putative 0.1041 0.0706 0.1707
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0214 0.0108 0.1439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0616 0.0399 0.4895
Echinococcus granulosus geminin 0.0205 0.0101 0.0101
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0273 0.0151 0.2011
Trichomonas vaginalis PIKK family atypical protein kinase 0.1054 0.0716 0.9765
Echinococcus granulosus serine protein kinase ATM 0.0611 0.0395 0.0395
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1075 0.0731 0.0731
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0347 0.0204 0.1911
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1099 0.0748 0.2051
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0273 0.0151 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0273 0.0151 0.0122
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1041 0.0706 0.96
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1075 0.0731 0.0731
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0273 0.0151 0.0697
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0273 0.0151 0.0298
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0214 0.0108 0.1439
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0273 0.0151 0.0122
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1053 0.0715 0.1733
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1075 0.0731 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0267 0.0146 0.1995
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0446 0.0276 0.0276
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0397 0.024 0.0561
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.0117 0.0117

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.6513 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 141.2538 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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