Detailed information for compound 1635421

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 556.578 | Formula: C23H23F3N4O5S2
  • H donors: 2 H acceptors: 7 LogP: 3.98 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)c1ccc(cc1)S(=O)(=O)NCCC(=O)O
  • InChi: 1S/C23H23F3N4O5S2/c1-2-3-14-30(21(33)16-4-8-17(9-5-16)23(24,25)26)22-29-28-20(36-22)15-6-10-18(11-7-15)37(34,35)27-13-12-19(31)32/h4-11,27H,2-3,12-14H2,1H3,(H,31,32)
  • InChiKey: FFTCVGLTTXXCKR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sphingosine-1-phosphate receptor 1 Starlite/ChEMBL References
Homo sapiens sphingosine-1-phosphate receptor 3 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0508 0.0668 0.0659
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.6711 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0508 0.0668 0.0665
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2334 0.3416 0.3416
Trichomonas vaginalis PIKK family atypical protein kinase 0.4011 0.5938 0.5935
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0234 0.0256 0.025
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.6711 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0444 0.0571 0.0566
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0166 0.0154 0.0149
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0573 0.0766 0.0761
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2334 0.3416 0.3416
Leishmania major hypothetical protein, conserved 0.0541 0.0718 0.0572
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0154 0.0154
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2334 0.3416 0.3412
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0065 0.0002 0.0002
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0465 0.0603 0.0595
Trichomonas vaginalis PIKK family atypical protein kinase 0.5347 0.7948 0.7946
Loa Loa (eye worm) phosphatidylinositol kinase 0.0444 0.0571 0.0571
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.228 0.3335 0.3329
Entamoeba histolytica hypothetical protein 0.0604 0.0813 0.0811
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0154 0.0146
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0465 0.0603 0.0595
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0444 0.0571 0.0563
Schistosoma mansoni hypothetical protein 0.0444 0.0571 0.0566
Trichomonas vaginalis PIKK family atypical protein kinase 0.5347 0.7948 0.7946
Toxoplasma gondii FATC domain-containing protein 0.1289 0.1843 0.2478
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0444 0.0571 0.9293
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1289 0.1843 0.1841
Trypanosoma brucei target of rapamycin kinase 3, putative 0.5352 0.7956 0.7954
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0465 0.0603 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0444 0.0571 0.0571
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0234 0.0256 0.0256
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0573 0.0766 0.0764
Loa Loa (eye worm) hypothetical protein 0.0068 0.0006 0.0006
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0144 0.012 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.5347 0.7948 0.7946
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.3166 0.4667 0.4662
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0465 0.0603 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0508 0.0668 0.0665
Trichomonas vaginalis PIKK family atypical protein kinase 0.3644 0.5387 0.5382
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0444 0.0571 0.0571
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.1843 0.1836
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.2292 0.3352 0.3346
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0508 0.0668 0.0665
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0444 0.0571 0.0566
Loa Loa (eye worm) phosphatidylinositol 3 0.6711 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0465 0.0603 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.1289 0.1843 0.1836
Mycobacterium tuberculosis Conserved hypothetical protein 0.0444 0.0571 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0444 0.0571 0.0766
Leishmania major phosphatidylinositol 3-kinase, putative 0.228 0.3335 0.323
Trichomonas vaginalis PIKK family atypical protein kinase 0.4355 0.6456 0.6453
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0234 0.0256 0.0254
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0465 0.0603 0.0809
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0166 0.0154 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0571 0.0563
Entamoeba histolytica hypothetical protein 0.0444 0.0571 0.0569
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0465 0.0603 0.0598
Entamoeba histolytica protein kinase, putative 0.007 0.0009 0.0006
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.6711 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.6711 1 1
Schistosoma mansoni immunophilin 0.0144 0.012 0.0114
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0508 0.0668 0.0668
Loa Loa (eye worm) phosphatidylinositol 3 0.2292 0.3352 0.3352
Loa Loa (eye worm) AGC/AKT protein kinase 0.007 0.0009 0.0009
Mycobacterium leprae conserved hypothetical protein 0.0444 0.0571 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0992 0.1396 0.1388
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.13 0.186 0.1858
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0581 0.0779 0.0771
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0166 0.0154 0.0149
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0166 0.0154 0.0146
Loa Loa (eye worm) phosphatidylinositol 3 0.0444 0.0571 0.0571
Loa Loa (eye worm) hypothetical protein 0.0144 0.012 0.012
Echinococcus multilocularis Zinc finger, PHD finger 0.0465 0.0603 0.0598
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0718 0.0984 0.0978
Entamoeba histolytica protein kinase rad3, putative 0.1289 0.1843 0.1841
Trichomonas vaginalis PIKK family atypical protein kinase 0.5003 0.743 0.7428
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0166 0.0154 0.5
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0539 0.0714 0.0569
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0185 0.0182 0.0179
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0573 0.0766 0.0761
Entamoeba histolytica hypothetical protein 0.1289 0.1843 0.1841
Trichomonas vaginalis PIKK family atypical protein kinase 0.5347 0.7948 0.7946
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0444 0.0571 0.9293
Trichomonas vaginalis PIKK family atypical protein kinase 0.3644 0.5387 0.5382
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0203 0.021 0.0208
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0444 0.0571 0.0569
Plasmodium vivax hypothetical protein 0.0444 0.0571 0.9293
Trichomonas vaginalis PIKK family atypical protein kinase 0.3639 0.5378 0.5374
Trichomonas vaginalis PIKK family atypical protein kinase 0.2292 0.3352 0.3346
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1289 0.1843 0.1841
Trichomonas vaginalis PIKK family atypical protein kinase 0.6711 1 1
Echinococcus multilocularis fk506 binding protein 0.0166 0.0154 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.13 0.186 0.1853
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0444 0.0571 0.0566
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0571 0.0563
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0647 0.0877 0.0877
Schistosoma mansoni hypothetical protein 0.0992 0.1396 0.1391
Leishmania major hypothetical protein, unknown function 0.0444 0.0571 0.0424
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1435 0.2063 0.2775
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0219 0.0233 0.0224
Trichomonas vaginalis PIKK family atypical protein kinase 0.4502 0.6677 0.6674
Trichomonas vaginalis PIKK family atypical protein kinase 0.5003 0.743 0.7428
Giardia lamblia Hypothetical protein 0.0444 0.0571 0.0424
Brugia malayi FAT domain containing protein 0.0992 0.1396 0.1394
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0444 0.0571 0.0571
Trichomonas vaginalis PIKK family atypical protein kinase 0.5003 0.743 0.7428
Echinococcus multilocularis 0.0444 0.0571 0.0566
Leishmania major phosphatidylinositol 4-kinase, putative 0.0444 0.0571 0.0424
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0465 0.0603 0.0595
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0465 0.0603 0.0595
Toxoplasma gondii target of rapamycin (TOR), putative 0.5003 0.743 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0444 0.0571 0.0566
Giardia lamblia Phosphatidylinositol 4-kinase 0.0444 0.0571 0.0424
Trichomonas vaginalis PIKK family atypical protein kinase 0.5003 0.743 0.7428
Loa Loa (eye worm) hypothetical protein 0.1435 0.2063 0.2063
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.6711 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0166 0.0154 0.0152
Schistosoma mansoni immunophilin 0.0166 0.0154 0.0149
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0444 0.0571 0.0566
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0647 0.0877 0.0875
Brugia malayi Protein kinase domain containing protein 0.007 0.0009 0.0006
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0647 0.0877 0.0877
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0444 0.0571 0.0766
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1289 0.1843 0.1838
Entamoeba histolytica protein kinase, putative 0.007 0.0009 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.228 0.3335 0.3329
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2334 0.3416 0.3414
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0166 0.0154 0.0152
Trichomonas vaginalis conserved hypothetical protein 0.1435 0.2063 0.2056
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0444 0.0571 0.0563
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0234 0.0256 0.025
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.053 0.0702 0.07
Schistosoma mansoni immunophilin 0.0166 0.0154 0.0149
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0144 0.012 0.0114
Loa Loa (eye worm) hypothetical protein 0.0992 0.1396 0.1396
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0444 0.0571 0.9293
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1289 0.1843 0.1843
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0444 0.0571 0.0569
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2334 0.3416 0.3412
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1289 0.1843 0.1843
Trichomonas vaginalis fk506-binding protein, putative 0.0166 0.0154 0.0146
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.6711 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.6711 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0444 0.0571 0.0569
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0166 0.0154 0.0154
Trichomonas vaginalis PIKK family atypical protein kinase 0.5003 0.743 0.7428
Trichomonas vaginalis PIKK family atypical protein kinase 0.3644 0.5387 0.5382
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0718 0.0984 0.0978
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1289 0.1843 0.1838
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0166 0.0154 0.0146
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0444 0.0571 0.0571
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0647 0.0877 0.0869
Loa Loa (eye worm) hypothetical protein 0.0074 0.0015 0.0015
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0508 0.0668 0.0659
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0444 0.0571 0.0566
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0647 0.0877 0.0875
Trichomonas vaginalis conserved hypothetical protein 0.0845 0.1175 0.1167
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0465 0.0603 0.0601
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0992 0.1396 0.1391
Trichomonas vaginalis PIKK family atypical protein kinase 0.4011 0.5938 0.5935
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0154 0.0154
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0604 0.0813 0.0811
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0832 0.1155 0.115
Entamoeba histolytica hypothetical protein 0.0444 0.0571 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.3639 0.5378 0.5374
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0166 0.0154 0.0154
Trichomonas vaginalis PIKK family atypical protein kinase 0.3988 0.5904 0.5901
Plasmodium vivax hypothetical protein, conserved 0.0444 0.0571 0.9293
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0508 0.0668 0.0659
Loa Loa (eye worm) phosphatidylinositol 3 0.0444 0.0571 0.0571
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0647 0.0877 0.0869
Onchocerca volvulus 0.0444 0.0571 0.5
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0465 0.0603 0.0603
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0465 0.0603 0.0809
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0154 0.0154
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0444 0.0571 0.0563
Trichomonas vaginalis PIKK family atypical protein kinase 0.5719 0.8508 0.8507
Leishmania major phosphatidylinositol 3-kinase, putative 0.0465 0.0603 0.0456
Leishmania major phosphatidylinositol 3-related kinase, putative 0.2292 0.3352 0.3248
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0465 0.0603 0.0456
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.6711 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0444 0.0571 0.0566
Trichomonas vaginalis PIKK family atypical protein kinase 0.5347 0.7948 0.7946
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0465 0.0603 0.0598
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0992 0.1396 0.1391
Trichomonas vaginalis PIKK family atypical protein kinase 0.5003 0.743 0.7428
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0832 0.1155 0.115
Trichomonas vaginalis PIKK family atypical protein kinase 0.3644 0.5387 0.5382
Echinococcus multilocularis serine protein kinase ATM 0.1289 0.1843 0.1838
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0581 0.0779 0.0771
Schistosoma mansoni voltage-gated potassium channel 0.0255 0.0288 0.0283
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0845 0.1175 0.1175
Loa Loa (eye worm) phosphatidylinositol 3 0.0789 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.1358 0.1948 0.1948
Trypanosoma cruzi hypothetical protein, conserved 0.0097 0.005 0.005
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0166 0.0154 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.3988 0.5904 0.5901
Trichomonas vaginalis PIKK family atypical protein kinase 0.1802 0.2615 0.2609
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0487 0.0636 0.0489
Schistosoma mansoni fkbp-rapamycin associated protein 0.1289 0.1843 0.1838
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0465 0.0603 0.0598
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.6711 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0508 0.0668 0.0659
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0465 0.0603 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.228 0.3335 0.3329
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0444 0.0571 0.9293
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2799 0.4115 0.411
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0444 0.0571 0.0566
Loa Loa (eye worm) FKBP5 protein 0.0166 0.0154 0.0154
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0465 0.0603 0.0603
Trichomonas vaginalis PIKK family atypical protein kinase 0.6711 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0166 0.0154 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.228 0.3335 0.3329
Trichomonas vaginalis PIKK family atypical protein kinase 0.0845 0.1175 0.1167
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0219 0.0233 0.0224
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0465 0.0603 0.0601
Schistosoma mansoni voltage-gated potassium channel 0.0255 0.0288 0.0283
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0647 0.0877 0.0869
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0444 0.0571 0.0569
Trichomonas vaginalis immunophilin, putative 0.0166 0.0154 0.0146
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0832 0.1155 0.115
Onchocerca volvulus 0.0444 0.0571 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.6711 1 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0444 0.0571 0.0424
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0444 0.0571 0.0571
Echinococcus granulosus serine protein kinase ATM 0.1289 0.1843 0.1838
Trichomonas vaginalis PIKK family atypical protein kinase 0.228 0.3335 0.3329
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0444 0.0571 0.0766
Giardia lamblia GTOR 0.6711 1 1
Loa Loa (eye worm) hypothetical protein 0.0573 0.0766 0.0766
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0508 0.0668 0.0662
Loa Loa (eye worm) hypothetical protein 0.0444 0.0571 0.0571
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0068 0.0006 0.0004
Leishmania major phosphatidylinositol kinase, putative 0.0444 0.0571 0.0424
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.6711 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.0209 0.0209
Loa Loa (eye worm) hypothetical protein 0.1289 0.1843 0.1843
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0444 0.0571 0.0563
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.5352 0.7956 0.7924
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0166 0.0154 0.5
Entamoeba histolytica hypothetical protein 0.0444 0.0571 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.5003 0.743 0.7428
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2334 0.3416 0.3412
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0465 0.0603 0.0603
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1289 0.1843 0.1838
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0465 0.0603 0.0601
Loa Loa (eye worm) phosphatidylinositol 3 0.0444 0.0571 0.0571
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.6711 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3639 0.5378 0.5374
Trichomonas vaginalis PIKK family atypical protein kinase 0.4011 0.5938 0.5935
Loa Loa (eye worm) phosphatidylinositol 3 0.0444 0.0571 0.0571
Trypanosoma cruzi target of rapamycin kinase 3 0.5352 0.7956 0.7956
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0166 0.0154 0.0152
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0166 0.0154 0.0152
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1289 0.1843 0.1836
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0444 0.0571 0.9293
Loa Loa (eye worm) hypothetical protein 0.0845 0.1175 0.1175

Activities

Activity type Activity value Assay description Source Reference
CLH (ADMET) = 137.4 uL/min Intrinsic clearance in mouse liver microsomes assessed per mg of protein at 0.5 uM by LC/MS/MS analysis ChEMBL. 22386243
EC50 (functional) = 6.3 Agonist activity at human S1P3R expressed in HEK293T cells by Ca(2+) mobilization assay ChEMBL. 22386243
EC50 (functional) = 8.9 Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay ChEMBL. 22386243

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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