Detailed information for compound 1769549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.604 | Formula: C27H29N3OS
  • H donors: 1 H acceptors: 1 LogP: 6.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC[C@H]1CCCN1CCc1ccc(cc1)Nc1scc(n1)c1ccc2c(c1)cccc2
  • InChi: 1S/C27H29N3OS/c1-31-18-25-7-4-15-30(25)16-14-20-8-12-24(13-9-20)28-27-29-26(19-32-27)23-11-10-21-5-2-3-6-22(21)17-23/h2-3,5-6,8-13,17,19,25H,4,7,14-16,18H2,1H3,(H,28,29)/t25-/m1/s1
  • InChiKey: IGRKNTYOIZKCPI-RUZDIDTESA-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 kinase 1 Starlite/ChEMBL References
Homo sapiens sphingosine kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis sphingosine kinase 1 Get druggable targets OG5_128162 All targets in OG5_128162
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128162 All targets in OG5_128162
Schistosoma japonicum ko:K00901 diacylglycerol kinase [EC2.7.1.107], putative Get druggable targets OG5_128162 All targets in OG5_128162
Mycobacterium tuberculosis Conserved protein Get druggable targets OG5_128162 All targets in OG5_128162
Candida albicans similar to S. cerevisiae LCB4 (YOR171C) sphingoid long chain base (LCB) kinase Get druggable targets OG5_128162 All targets in OG5_128162
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_128162 All targets in OG5_128162
Echinococcus granulosus sphingosine kinase 1 Get druggable targets OG5_128162 All targets in OG5_128162
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128162 All targets in OG5_128162
Schistosoma mansoni sphingosine kinase A B Get druggable targets OG5_128162 All targets in OG5_128162
Schistosoma mansoni sphingoid long chain base kinase Get druggable targets OG5_128162 All targets in OG5_128162
Candida albicans similar to S. cerevisiae LCB4 (YOR171C) sphingoid long chain base (LCB) kinase Get druggable targets OG5_128162 All targets in OG5_128162
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
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0062
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0018 0.0061 0.005
Loa Loa (eye worm) phosphatidylinositol kinase 0.0018 0.0061 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) PHD-finger family protein 0.0015 0.0034 0.0021
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0398 0.338 0.6393
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0054 0.005
Echinococcus granulosus importin subunit beta 1 0.0021 0.0082 0.0071
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0061 0.0064
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0045 0.0292 0.0292
Echinococcus granulosus tumor protein p63 0.0392 0.3321 0.3314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0057 0.0403 0.0436
Echinococcus multilocularis serine protein kinase ATM 0.0018 0.0061 0.005
Toxoplasma gondii HEAT repeat-containing protein 0.0021 0.0082 0.094
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0061 0.0052
Loa Loa (eye worm) hypothetical protein 0.0032 0.0185 0.0191
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0061 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 0.1141
Onchocerca volvulus 0.0018 0.0061 0.0893
Echinococcus multilocularis sphingosine kinase 1 0.0369 0.3124 0.3116
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0013 0.0015 0.5
Echinococcus granulosus serine protein kinase ATM 0.0018 0.0061 0.005
Loa Loa (eye worm) phosphatidylinositol 3 0.0188 0.1539 0.1715
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0061 0.0116
Plasmodium vivax importin-beta 2, putative 0.0021 0.0082 0.113
Entamoeba histolytica hypothetical protein 0.0026 0.0132 0.0199
Plasmodium vivax hypothetical protein 0.0018 0.0061 0.078
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0144 0.1158 0.4569
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0061 0.0064
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0061 0.078
Schistosoma mansoni fkbp-rapamycin associated protein 0.0018 0.0061 0.0061
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1157 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Brugia malayi hypothetical protein 0.0026 0.0132 0.0199
Echinococcus granulosus Diacylglycerol kinase zeta 0.0014 0.0028 0.0016
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0061 0.1017
Schistosoma mansoni hypothetical protein 0.0026 0.0132 0.0132
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0014 0.0028 0.0016
Schistosoma mansoni ran 0.0015 0.0034 0.0034
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0422 0.359 0.6793
Echinococcus granulosus cpg binding protein 0.0024 0.0108 0.0097
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus multilocularis snurportin 1 0.022 0.1818 0.1809
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.008 0.0602 1
Trichomonas vaginalis ran, putative 0.0015 0.0034 0.0013
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0615 0.5271 1
Entamoeba histolytica hypothetical protein 0.0018 0.0061 0.0064
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.008 0.0602 0.1095
Entamoeba histolytica hypothetical protein 0.0026 0.0132 0.0199
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0018 0.0057 0.0057
Plasmodium falciparum diacylglycerol kinase, putative 0.0014 0.0028 0.0209
Echinococcus granulosus histone lysine methyltransferase setb 0.0013 0.0015 0.0004
Loa Loa (eye worm) phosphatidylinositol 3 0.1031 0.8903 1
Schistosoma mansoni ran 0.0015 0.0034 0.0034
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0018 0.0061 0.0116
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0014 0.0028 0.0014
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0018 0.0061 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.008 0.0602 0.066
Trichomonas vaginalis importin beta-1, putative 0.0017 0.0048 0.0038
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0018 0.0061 0.005
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0061 0.005
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0062 0.0051
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0062
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0297 0.2493 1
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0018 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0015 0.0034 0.0034
Onchocerca volvulus 0.0021 0.0086 0.155
Schistosoma mansoni cpg binding protein 0.0024 0.0108 0.0108
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0615 0.5271 1
Entamoeba histolytica hypothetical protein 0.0018 0.0061 0.0064
Entamoeba histolytica hypothetical protein 0.0018 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0018 0.0062 0.0053
Loa Loa (eye worm) hypothetical protein 0.0058 0.0407 0.044
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0206 0.1698 0.3186
Echinococcus multilocularis cpg binding protein 0.0024 0.0108 0.0097
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.008 0.0602 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0061 0.0116
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0403 0.0403
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0061 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0061 0.005
Echinococcus multilocularis Diacylglycerol kinase theta 0.0014 0.0028 0.0016
Schistosoma mansoni hypothetical protein 0.0018 0.0061 0.0061
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0061 0.0116
Schistosoma mansoni transcription factor LCR-F1 0.0026 0.0132 0.0132
Brugia malayi Importin beta-1 subunit 0.0021 0.0082 0.0103
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0206 0.1698 0.3186
Echinococcus multilocularis tumor protein p63 0.0392 0.3321 0.3314
Schistosoma mansoni methyl-cpg binding protein mbd 0.0012 0.0011 0.0011
Brugia malayi Bromodomain containing protein 0.0056 0.0392 0.0695
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0017 0.0054 0.0123
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.008 0.0602 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0054 0.0894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0061 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0018 0.0061 0.0061
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0206 0.1698 0.3222
Mycobacterium ulcerans hypothetical protein 0.0369 0.3124 1
Leishmania major phosphatidylinositol kinase, putative 0.0018 0.0061 0.1017
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0206 0.1698 1
Onchocerca volvulus 0.0018 0.0061 0.0893
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0026 0.0132 0.0121
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0026 0.0132 0.0121
Loa Loa (eye worm) ceramide kinase 0.0014 0.0028 0.0014
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0062
Brugia malayi RNA, U transporter 1 0.0058 0.0413 0.0734
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0054 0.0123
Entamoeba histolytica acyl-CoA synthetase, putative 0.0017 0.0054 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0021 0.0082 0.0075
Loa Loa (eye worm) hypothetical protein 0.0369 0.3124 0.3498
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0045 0.0294 0.0283
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0018 0.0061 0.0061
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0018 0.0061 0.005
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0054 0.005
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0018 0.0061 0.005
Echinococcus granulosus GPCR family 2 0.0018 0.0062 0.0051
Schistosoma mansoni hypothetical protein 0.0018 0.0062 0.0062
Leishmania major hypothetical protein, conserved 0.0014 0.0028 0.046
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.008 0.0602 0.0591
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0044 0.029 0.0279
Trypanosoma brucei diacylglycerol kinase, putative 0.0014 0.0028 0.0163
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0017 0.0048 0.0038
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.0028 0.0028
Loa Loa (eye worm) diacylglycerol kinase 2 0.0014 0.0028 0.0014
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0018 0.0061 0.078
Loa Loa (eye worm) hypothetical protein 0.0028 0.0147 0.0149
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0018 0.0061 0.0116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0061 0.0061
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0033 0.0187 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0018 0.0061 0.0583
Onchocerca volvulus 0.0017 0.0054 0.0695
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0061 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0187 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0061 0.0116
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0615 0.5271 1
Echinococcus granulosus ceramide kinase 0.0014 0.0028 0.0016
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.008 0.0602 0.0591
Plasmodium vivax diacylglycerol kinase, putative 0.0014 0.0028 0.0209
Leishmania major sphingosine kinase A, B, putative 0.0014 0.0028 0.046
Plasmodium vivax hypothetical protein, conserved 0.0018 0.0061 0.078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Schistosoma mansoni sphingosine kinase A B 0.0369 0.3124 0.3124
Echinococcus multilocularis dnaJ subfamily B 0.03 0.2517 0.2509
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0061 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Mycobacterium tuberculosis Conserved protein 0.0369 0.3124 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0018 0.0061 0.0064
Trypanosoma brucei importin beta-1 subunit, putative 0.0021 0.0082 0.0481
Echinococcus granulosus zinc finger protein 0.0016 0.0038 0.0027
Loa Loa (eye worm) hypothetical protein 0.0018 0.0061 0.0052
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0061 0.036
Loa Loa (eye worm) hypothetical protein 0.0014 0.0028 0.0014
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0028 0.0053
Echinococcus granulosus dnaJ subfamily B 0.03 0.2517 0.2509
Schistosoma mansoni hypothetical protein 0.03 0.2517 0.2517
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus granulosus GTP binding nuclear protein Ran 0.0015 0.0034 0.0023
Schistosoma mansoni aldehyde dehydrogenase 0.0044 0.029 0.029
Trypanosoma cruzi diacylglycerol kinase, putative 0.0014 0.0028 0.0053
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0018 0.0061 0.005
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0033 0.0187 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.008 0.0602 0.1095
Echinococcus granulosus fetal alzheimer antigen falz 0.0018 0.0057 0.0046
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0054 0.0123
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 0.3543
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0044 0.029 0.0279
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0615 0.5271 1
Leishmania major diacylglycerol kinase-like protein 0.0014 0.0028 0.046
Schistosoma mansoni zinc finger protein 0.0016 0.0038 0.0038
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0061 0.0052
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0015 0.0034 0.0065
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0206 0.1698 0.1698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.003 0.0163 0.0166
Loa Loa (eye worm) hypothetical protein 0.004 0.0247 0.0261
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0018 0.0061 0.078
Schistosoma mansoni cpg binding protein 0.0024 0.0108 0.0108
Echinococcus multilocularis 0.0018 0.0061 0.005
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0061 0.0052
Schistosoma mansoni hypothetical protein 0.022 0.1818 0.1818
Echinococcus multilocularis zinc finger protein 0.0016 0.0038 0.0027
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0061 0.005
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0014 0.0028 0.0163
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0033 0.0187 0.0304
Plasmodium vivax diacylglycerol kinase, putative 0.0014 0.0028 0.0209
Echinococcus granulosus snurportin 1 0.022 0.1818 0.1809
Mycobacterium ulcerans aldehyde dehydrogenase 0.0044 0.029 0.0884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Schistosoma mansoni aldehyde dehydrogenase 0.0044 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.0014 0.0028 0.0014
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0026 0.0132 0.0121
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0061 0.0116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0033 0.0187 0.0176
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0062 0.0065
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0018 0.0061 0.036
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0018 0.0061 0.0583
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0018 0.0061 0.0064
Entamoeba histolytica hypothetical protein 0.0017 0.0048 0.0038
Leishmania major hypothetical protein, unknown function 0.0018 0.0061 0.1017
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0018 0.0061 0.0583
Echinococcus granulosus sphingosine kinase 1 0.0369 0.3124 0.3116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Entamoeba histolytica hypothetical protein 0.0489 0.4175 0.7909
Loa Loa (eye worm) hypothetical protein 0.0052 0.0354 0.0382
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0206 0.1698 0.3186
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0033 0.0187 0.0193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.008 0.0602 0.1095
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0017 0.0054 0.0123
Onchocerca volvulus 0.0057 0.0403 1
Mycobacterium tuberculosis Diacylglycerol kinase 0.0014 0.0028 0.0059
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.094 0.8107 0.8105
Toxoplasma gondii FATC domain-containing protein 0.0018 0.0061 0.0583
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0407 0.0723
Trypanosoma cruzi Sphingosine kinase 0.0014 0.0028 0.0053
Mycobacterium ulcerans aldehyde dehydrogenase 0.0044 0.029 0.0884
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0014 0.0028 0.0053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0061 0.078
Entamoeba histolytica protein kinase rad3, putative 0.0018 0.0061 0.0064
Schistosoma mansoni hypothetical protein 0.0014 0.0028 0.0028
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0061 0.0064
Trypanosoma cruzi Sphingosine kinase 0.0014 0.0028 0.0053
Loa Loa (eye worm) hypothetical protein 0.0017 0.0054 0.0043
Leishmania major phosphatidylinositol 3-kinase, putative 0.008 0.0602 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0061 0.1017
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0061 0.1017
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0062 0.0065
Loa Loa (eye worm) hypothetical protein 0.0018 0.0061 0.0052
Entamoeba histolytica hypothetical protein 0.0026 0.0132 0.0199
Mycobacterium leprae conserved hypothetical protein 0.0018 0.0061 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0018 0.0061 0.036
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0407 0.0723
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0018 0.0061 0.0583
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0013 0.0015 0.002
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0188 0.1539 0.292
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.008 0.0602 0.1095
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0062 0.0051
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.008 0.0602 0.1095
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0018 0.0061 0.078
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0054 0.0123
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0014 0.0028 0.0053
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0014 0.0028 0.0016
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0015 0.0034 0.0013
Plasmodium falciparum diacylglycerol kinase, putative 0.0014 0.0028 0.0209
Plasmodium falciparum importin beta, putative 0.0021 0.0082 0.113
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0018 0.0061 0.036
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0062 0.0051
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0061 0.0052
Entamoeba histolytica acyl-coA synthetase, putative 0.0017 0.0054 0.005
Echinococcus granulosus Diacylglycerol kinase theta 0.0014 0.0028 0.0016
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0061 0.036
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.022 0.1818 0.2028
Schistosoma mansoni methyl-cpg binding protein mbd 0.0012 0.0011 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0018 0.0061 0.005
Brugia malayi Bromodomain containing protein 0.0028 0.0147 0.0228
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0061 0.0116
Echinococcus multilocularis Zinc finger, PHD finger 0.008 0.0602 0.0591
Schistosoma mansoni hypothetical protein 0.004 0.0247 0.0247
Toxoplasma gondii aldehyde dehydrogenase 0.0044 0.029 0.4577
Loa Loa (eye worm) hypothetical protein 0.0217 0.1794 0.2001
Entamoeba histolytica hypothetical protein, conserved 0.0369 0.3124 0.5905
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0247 0.0418
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0013 0.0015 0.0004
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.008 0.0602 0.1095
Leishmania major phosphatidylinositol 4-kinase, putative 0.0018 0.0061 0.1017
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0015 0.0034 0.0202
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0014 0.0028 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0398 0.338 0.3372
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0044 0.029 0.0902
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0061 0.0064
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0015 0.0034 0.0115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0013 0.0015 0.0015
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0422 0.359 0.6793
Loa Loa (eye worm) hypothetical protein 0.0018 0.0061 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0015 0.0034 0.0023
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0062 0.0051
Brugia malayi PHD-finger family protein 0.0019 0.0072 0.0084
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0615 0.5271 1
Schistosoma mansoni cpg binding protein 0.0021 0.0086 0.0086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0013 0.0015 0.0015
Schistosoma mansoni phosphatidylinositol 4-kinase 0.008 0.0602 0.0602
Loa Loa (eye worm) CXXC zinc finger family protein 0.0021 0.0086 0.0079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0033 0.0187 0.0187
Giardia lamblia Hypothetical protein 0.0018 0.0061 0.0109
Mycobacterium ulcerans hypothetical protein 0.0017 0.0054 0.0123
Echinococcus multilocularis GPCR, family 2 0.0018 0.0062 0.0051
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0407 0.044
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Mycobacterium ulcerans diacylglycerol kinase 0.0014 0.0028 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.008 0.0602 0.0591
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0061 0.1017
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0014 0.0028 0.0028
Toxoplasma gondii histone lysine methyltransferase SET1 0.0042 0.0265 0.4138
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0061 0.0061
Entamoeba histolytica acyl-CoA synthetase, putative 0.0017 0.0054 0.005
Leishmania major hypothetical protein, conserved 0.0014 0.0028 0.046
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0615 0.5271 1
Entamoeba histolytica hypothetical protein 0.0018 0.0061 0.0064
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0018 0.0061 0.0064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0061 0.036
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0061 0.0052
Entamoeba histolytica Ran family GTPase 0.0015 0.0034 0.0013
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0033 0.0187 0.0176
Loa Loa (eye worm) hypothetical protein 0.0014 0.0028 0.0014
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0061 0.036
Echinococcus multilocularis ceramide kinase 0.0014 0.0028 0.0016
Trypanosoma cruzi importin beta-1 subunit, putative 0.0017 0.0048 0.0091
Mycobacterium tuberculosis Conserved hypothetical protein 0.0018 0.0061 0.0167
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0061 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0017 0.0054 0.0043
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0018 0.0061 0.005
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.008 0.0602 0.1141
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0061 0.1017
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0597 0.5112 0.9697
Echinococcus multilocularis importin subunit beta 1 0.0021 0.0082 0.0071
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0017 0.0048 0.0038
Mycobacterium ulcerans aldehyde dehydrogenase 0.0044 0.029 0.0884
Toxoplasma gondii target of rapamycin (TOR), putative 0.0018 0.0061 0.0583
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0017 0.0054 0.0123
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0018 0.0061 0.005
Brugia malayi AMP-binding enzyme family protein 0.0017 0.0054 0.005
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0061 0.1017
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.0028 0.0028
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0018 0.0061 0.0061
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.008 0.0602 0.0602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0018 0.0061 0.0116
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0018 0.0057 0.0046
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0206 0.1698 0.3186
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1157 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0061 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0018 0.0061 0.0116
Leishmania major diacylglycerol kinase, putative 0.0014 0.0028 0.046
Schistosoma mansoni importin beta-1 0.0021 0.0082 0.0082
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0044 0.029 0.4826
Giardia lamblia GTOR 0.0018 0.0061 0.0109
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0015 0.0034 0.0321
Plasmodium falciparum phosphatidylinositol 3-kinase 0.008 0.0602 1
Leishmania major GTP-binding protein, putative 0.0015 0.0034 0.057
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0014 0.0028 0.0028
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0398 0.338 0.3372
Leishmania major importin beta-1 subunit, putative 0.0017 0.0048 0.0793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Leishmania major hypothetical protein, conserved 0.0018 0.0061 0.1017
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0054 0.0143
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0273 0.2283 0.4301
Giardia lamblia Phosphatidylinositol 4-kinase 0.0018 0.0061 0.0109
Trypanosoma brucei Sphingosine kinase 0.0014 0.0028 0.0163
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0206 0.1698 0.3186
Brugia malayi CXXC zinc finger family protein 0.0021 0.0086 0.0111
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0489 0.4175 0.7909
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0017 0.0054 0.0043
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0045 0.0294 0.0283
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0206 0.1698 0.3186
Trypanosoma brucei importin beta-1 subunit, putative 0.0021 0.0082 0.0481
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0054 0.0894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0015 0.0034 0.0022
Trypanosoma brucei hypothetical protein, conserved 0.0014 0.0028 0.0163
Schistosoma mansoni sphingoid long chain base kinase 0.0369 0.3124 0.3124
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0061 0.0064
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0018 0.0061 0.0116
Mycobacterium ulcerans acyl-CoA synthetase 0.0017 0.0054 0.0123
Schistosoma mansoni bromodomain containing protein 0.0048 0.0317 0.0317
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0018 0.0061 0.0064
Loa Loa (eye worm) hypothetical protein 0.0398 0.338 0.3785
Trichomonas vaginalis PIKK family atypical protein kinase 0.0018 0.0061 0.0064
Leishmania major 4-coumarate:coa ligase-like protein 0.0017 0.0054 0.0894
Trypanosoma cruzi diacylglycerol kinase, putative 0.0014 0.0028 0.0053
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0015 0.0034 0.0321
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0062 0.0053
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0014 0.0028 0.0053
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0615 0.5271 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0017 0.0054 0.0143
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0542 0.4631 0.8779
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0018 0.0061 0.0064
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0061 0.0116
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0061 0.005
Entamoeba histolytica hypothetical protein 0.0026 0.0132 0.0199
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0018 0.0061 0.0064
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0026 0.0132 0.0121
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0015 0.0034 0.0065

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.3 uM Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting ChEMBL. 23845219
IC50 (binding) = 5.7 uM Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting ChEMBL. 23845219

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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