Detailed information for compound 1098847

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.514 | Formula: C22H32N4O3
  • H donors: 3 H acceptors: 4 LogP: 4.37 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCc1onc(n1)c1ccc(cc1)[C@@H](NC(=O)[C@H]1NCC[C@@H]1O)C
  • InChi: 1S/C22H32N4O3/c1-3-4-5-6-7-8-19-25-21(26-29-19)17-11-9-16(10-12-17)15(2)24-22(28)20-18(27)13-14-23-20/h9-12,15,18,20,23,27H,3-8,13-14H2,1-2H3,(H,24,28)/t15-,18-,20-/m0/s1
  • InChiKey: MUKDWFFIJXAKGE-QSFXBCCZSA-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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus sphingosine kinase 1 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
Mycobacterium ulcerans hypothetical protein 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
Loa Loa (eye worm) 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 japonicum ko:K00901 diacylglycerol kinase [EC2.7.1.107], putative Get druggable targets OG5_128162 All targets in OG5_128162
Echinococcus multilocularis sphingosine kinase 1 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
Loa Loa (eye worm) hypothetical protein 0.0052 0.0083 0.0122
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0098 0.0194 0.0283
Loa Loa (eye worm) hypothetical protein 0.2904 0.6847 1
Echinococcus granulosus rho-associated protein kinase 1 0.0148 0.0311 0.0455
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0061 0.0089
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.0295 0.0295
Leishmania major protein kinase A catalytic subunit 0.0042 0.0061 0.7925
Schistosoma mansoni hypothetical protein 0.0018 0.0004 0.0006
Echinococcus granulosus survival motor neuron protein 1 0.0481 0.1103 0.161
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0001 0.0007
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.0225 0.2005
Echinococcus granulosus sphingosine kinase 1 0.0185 0.0398 0.0582
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0001 0.0001
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0007 0.001
Echinococcus granulosus microtubule associated protein 2 0.2096 0.4932 0.7203
Loa Loa (eye worm) hypothetical protein 0.2904 0.6847 1
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0078 0.0114
Plasmodium falciparum thioredoxin reductase 0.0017 0.0001 0.011
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0455 0.104 0.1518
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0042 0.0061 0.7925
Echinococcus multilocularis carboxylesterase 5A 0.2904 0.6847 0.6847
Mycobacterium ulcerans carboxylesterase, LipT 0.0491 0.1124 1
Mycobacterium ulcerans hypothetical protein 0.0048 0.0075 0.0661
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0042 0.0061 0.7925
Schistosoma mansoni hypothetical protein 0.0041 0.0057 0.0084
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0042 0.0061 0.0089
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0077 0.0112
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0061 0.0089
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0042 0.0061 0.7925
Trypanosoma brucei trypanothione reductase 0.0049 0.0077 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0046 0.0067
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.0295 0.043
Schistosoma mansoni sphingoid long chain base kinase 0.0185 0.0398 0.0582
Mycobacterium tuberculosis Probable reductase 0.0112 0.0225 0.2005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2904 0.6847 1
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0061 0.0089
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0491 0.1124 0.1642
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0018 0.0004 0.0036
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.0225 0.2005
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.0194 0.0284
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0018 0.0004 0.0036
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0075 0.1745
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0018 0.0004 0.0029
Loa Loa (eye worm) hypothetical protein 0.0048 0.0075 0.011
Loa Loa (eye worm) hypothetical protein 0.0481 0.1103 0.161
Brugia malayi Cytochrome P450 family protein 0.0027 0.0026 0.0037
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0036 0.0046 0.0067
Schistosoma mansoni hypothetical protein 0.0041 0.0057 0.0084
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0007 0.0885
Echinococcus granulosus carboxylesterase 5A 0.2904 0.6847 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0018 0.0004 0.0029
Loa Loa (eye worm) hypothetical protein 0.0491 0.1124 0.1642
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0061 0.0061
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0042 0.0061 0.0089
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0371 0.084 0.084
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.0198 0.0289
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0075 0.0661
Brugia malayi Cytochrome P450 family protein 0.0058 0.0098 0.0143
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0061 0.0061
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0041 0.0369
Schistosoma mansoni sphingosine kinase A B 0.0185 0.0398 0.0582
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0004 0.0529
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0001 0.0001
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0041 0.0369
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0001 0.011
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0018 0.0004 0.0036
Brugia malayi Carboxylesterase family protein 0.0491 0.1124 0.1642
Giardia lamblia Kinase, AGC PKA 0.0042 0.0061 1
Loa Loa (eye worm) acetylcholinesterase 1 0.2904 0.6847 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0042 0.0061 0.0089
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0075 0.2832
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.0194 0.479
Onchocerca volvulus 0.0145 0.0306 0.2197
Loa Loa (eye worm) hypothetical protein 0.0491 0.1124 0.1642
Echinococcus multilocularis protein dispatched 1 0.0048 0.0075 0.0075
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0007 0.0992
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0018 0.0004 0.0036
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0042 0.0061 0.7925
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0018 0.0004 0.0036
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0061 0.0061
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0075 0.9793
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0018 0.0004 0.0029
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0001 0.011
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0026 0.022
Echinococcus multilocularis sphingosine kinase 1 0.0185 0.0398 0.0398
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0001 0.011
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0046 0.6019
Loa Loa (eye worm) hypothetical protein 0.0036 0.0046 0.0067
Schistosoma mansoni neuroligin 3 (S09 family) 0.0491 0.1124 0.1642
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0075 0.2832
Schistosoma mansoni ap endonuclease 0.0019 0.0007 0.001
Trichomonas vaginalis AGC family protein kinase 0.0042 0.0061 0.0534
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.004 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0041 0.0057 0.0084
Schistosoma mansoni serine/threonine protein kinase 0.0148 0.0311 0.0455
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0111 0.0224 0.0327
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.0225 0.2005
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0001 0.011
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0077 1
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0042 0.0061 0.7925
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0007 0.001
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0077 0.0077
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0075 0.0661
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.0194 0.0284
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.0255 1
Brugia malayi hypothetical protein 0.0491 0.1124 0.1642
Loa Loa (eye worm) hypothetical protein 0.0267 0.0595 0.0869
Plasmodium falciparum thioredoxin reductase 0.0049 0.0077 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0007 0.0885
Loa Loa (eye worm) hypothetical protein 0.0491 0.1124 0.1642
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0007 0.0885
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0491 0.1124 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0075 0.011
Schistosoma mansoni hypothetical protein 0.0348 0.0785 0.1147
Echinococcus multilocularis expressed conserved protein 0.0093 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.005 0.0078 0.0114
Onchocerca volvulus 0.0491 0.1124 1
Onchocerca volvulus 0.0491 0.1124 1
Loa Loa (eye worm) carboxylesterase 0.0491 0.1124 0.1642
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.0004 0.0529
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0098 0.0143
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0004 0.0006
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0075 0.0668
Echinococcus multilocularis geminin 0.0348 0.0785 0.0785
Echinococcus multilocularis acetylcholinesterase 0.2904 0.6847 0.6847
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0042 0.0061 0.0061
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0075 0.9793
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0041 0.0369
Leishmania major protein kinase A catalytic subunit isoform 2 0.0042 0.0061 0.7925
Loa Loa (eye worm) hypothetical protein 0.0491 0.1124 0.1642
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0371 0.084 0.1226
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0075 0.0661
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0018 0.0004 0.0036
Brugia malayi CHE-14 protein 0.0042 0.0061 0.0089
Loa Loa (eye worm) hypothetical protein 0.0048 0.0075 0.011
Echinococcus multilocularis acetylcholinesterase 0.2904 0.6847 0.6847
Loa Loa (eye worm) hypothetical protein 0.0042 0.0061 0.0089
Echinococcus granulosus para nitrobenzyl esterase 0.0491 0.1124 0.1642
Leishmania major trypanothione reductase 0.0049 0.0077 1
Brugia malayi Protein kinase domain containing protein 0.0371 0.084 0.1226
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0018 0.0004 0.0029
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0075 0.0661
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0001 0.011
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0491 0.1124 0.1642
Mycobacterium tuberculosis Carboxylesterase LipT 0.0491 0.1124 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0001 0.011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Echinococcus granulosus expressed conserved protein 0.0093 0.018 0.0263
Onchocerca volvulus 0.0491 0.1124 1
Onchocerca volvulus 0.0491 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.024 0.0529 0.0773
Loa Loa (eye worm) hypothetical protein 0.0064 0.0113 0.0165
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.0225 0.8822
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0007 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0018 0.0004 0.0036
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0007 0.001
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0001 0.011
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0018 0.0004 0.0029
Schistosoma mansoni patched 1 0.0042 0.0061 0.0089
Toxoplasma gondii thioredoxin reductase 0.0049 0.0077 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0018 0.0004 0.0036
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0046 0.0403
Leishmania major cytochrome p450-like protein 0.0018 0.0004 0.0529
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0077 0.0112
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0001 0.011
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0491 0.1124 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0001 0.011
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0018 0.0004 0.0029
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0007 0.0053
Schistosoma mansoni cytochrome P450 0.0018 0.0004 0.0006
Brugia malayi Cytochrome P450 family protein 0.0027 0.0026 0.0037
Schistosoma mansoni hypothetical protein 0.0098 0.0194 0.0283
Echinococcus granulosus acetylcholinesterase 0.2904 0.6847 1
Echinococcus multilocularis 0.0018 0.0004 0.0004
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0061 0.0061
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0042 0.0061 0.7925
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0018 0.0004 0.0029
Onchocerca volvulus 0.005 0.0078 0.0028
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0077 0.0682
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0018 0.0004 0.0029
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0026 0.0037
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0491 0.1124 0.1642
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0001 0.011
Schistosoma mansoni acetylcholinesterase 0.0491 0.1124 0.1642
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0018 0.0004 0.0529
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0018 0.0004 0.0036
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0042 0.0061 0.7925
Loa Loa (eye worm) hypothetical protein 0.0036 0.0046 0.0067
Loa Loa (eye worm) hypothetical protein 0.0185 0.0398 0.0582
Loa Loa (eye worm) hypothetical protein 0.0048 0.0075 0.011
Toxoplasma gondii AGC kinase 0.0042 0.0061 0.7925
Schistosoma mansoni gliotactin 0.0491 0.1124 0.1642
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0075 0.0661
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0018 0.0004 0.0029
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.0225 0.2005
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0042 0.0061 0.7925
Trichomonas vaginalis spcc417.12 protein, putative 0.0491 0.1124 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0018 0.0004 0.0029
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0001 0.011
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0046 0.0411
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0075 0.011
Schistosoma mansoni hypothetical protein 0.0041 0.0057 0.0084
Onchocerca volvulus 0.0491 0.1124 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0018 0.0004 0.0029
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0491 0.1124 0.1642
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.0255 0.2268
Toxoplasma gondii cytochrome p450 superfamily protein 0.0018 0.0004 0.0529
Loa Loa (eye worm) hypothetical protein 0.0042 0.0061 0.0089
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0026 0.3333
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0075 0.9793
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0042 0.0061 0.7925
Brugia malayi Protein kinase domain containing protein 0.0455 0.104 0.1518
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0007 0.0885
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0018 0.0004 0.0036
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0077 1
Mycobacterium ulcerans hypothetical protein 0.0185 0.0398 0.3538
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0304 0.0682 0.0996
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0018 0.0004 0.0029
Onchocerca volvulus Huntingtin homolog 0.0267 0.0595 0.4954
Brugia malayi Thioredoxin reductase 0.0049 0.0077 0.0112
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0001 0.011
Echinococcus granulosus BC026374 protein S09 family 0.0491 0.1124 0.1642
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0042 0.0061 0.7925
Echinococcus multilocularis tumor protein p63 0.0338 0.0763 0.0763
Loa Loa (eye worm) AGC/PKA protein kinase 0.0042 0.0061 0.0089
Brugia malayi Cytochrome P450 family protein 0.0018 0.0004 0.0006
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0018 0.0004 0.0029
Toxoplasma gondii exonuclease III APE 0.0019 0.0007 0.0885
Brugia malayi cytochrome P450 0.0018 0.0004 0.0006
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0371 0.084 0.1226
Echinococcus multilocularis rho associated protein kinase 0.0148 0.0311 0.0311
Brugia malayi Carboxylesterase family protein 0.0491 0.1124 0.1642
Echinococcus multilocularis BC026374 protein (S09 family) 0.0491 0.1124 0.1124
Schistosoma mansoni serine/threonine protein kinase 0.0371 0.084 0.1226
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0491 0.1124 0.1124
Loa Loa (eye worm) carboxylesterase 0.2904 0.6847 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.0194 0.0194
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0046 0.6019
Schistosoma mansoni survival motor neuron protein 0.0098 0.0194 0.0283
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0018 0.0004 0.0529
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0026 0.0037
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0007 1
Leishmania major cytochrome p450-like protein 0.0027 0.0026 0.3333
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0018 0.0004 0.0029
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0061 0.0089
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0041 0.0369
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0018 0.0004 0.0029
Loa Loa (eye worm) cytochrome P450 0.0018 0.0004 0.0006
Brugia malayi hypothetical protein 0.0267 0.0595 0.0869
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0075 0.011
Brugia malayi glutathione reductase 0.0049 0.0077 0.0112
Echinococcus multilocularis survival motor neuron protein 1 0.0481 0.1103 0.1103
Loa Loa (eye worm) hypothetical protein 0.0491 0.1124 0.1642
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0018 0.0004 0.0029
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0007 0.006
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0018 0.0004 0.0029
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0018 0.0004 0.0036
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0007 0.0885
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0001 0.011
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0075 0.0668
Echinococcus granulosus acetylcholinesterase 0.2904 0.6847 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0007 0.0885
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0061 0.0089
Plasmodium falciparum glutathione reductase 0.0017 0.0001 0.011
Loa Loa (eye worm) glutathione reductase 0.0049 0.0077 0.0112
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0007 0.0007
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0491 0.1124 1
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0018 0.0004 0.0029
Onchocerca volvulus 0.0098 0.0194 0.1129
Entamoeba histolytica PH domain containing protein kinase, putative 0.0042 0.0061 0.1379
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0018 0.0004 0.0036
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0491 0.1124 0.1642
Plasmodium vivax glutathione reductase, putative 0.0049 0.0077 1
Onchocerca volvulus 0.0148 0.0311 0.2251
Brugia malayi Carboxylesterase family protein 0.0491 0.1124 0.1642
Schistosoma mansoni microtubule-associated protein tau 0.2096 0.4932 0.7203
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0026 0.3333
Leishmania major cytochrome p450-like protein 0.0018 0.0004 0.0529
Schistosoma mansoni ap endonuclease 0.0019 0.0007 0.001
Schistosoma mansoni BC026374 protein (S09 family) 0.0491 0.1124 0.1642
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0018 0.0004 0.0036
Echinococcus multilocularis protein patched 0.0042 0.0061 0.0061
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0001 0.011
Onchocerca volvulus Huntingtin homolog 0.0267 0.0595 0.4954
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0061 0.0535
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0018 0.0004 0.0036
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.0225 0.2005
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0371 0.084 0.7288
Entamoeba histolytica PH domain containing protein kinase, putative 0.0042 0.0061 0.1379
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Loa Loa (eye worm) carboxylesterase 0.0491 0.1124 0.1642
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0026 0.0037
Brugia malayi Carboxylesterase family protein 0.2904 0.6847 1
Entamoeba histolytica hypothetical protein, conserved 0.0185 0.0398 1
Leishmania major protein kinase A catalytic subunit isoform 1 0.0042 0.0061 0.7925
Echinococcus granulosus geminin 0.0348 0.0785 0.1147
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0018 0.0004 0.0029
Echinococcus granulosus neuroligin 0.0491 0.1124 0.1642
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0001 0.011
Loa Loa (eye worm) hypothetical protein 0.0491 0.1124 0.1642
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0042 0.0061 0.0089
Schistosoma mansoni hypothetical protein 0.0348 0.0785 0.1147
Echinococcus granulosus tumor protein p63 0.0338 0.0763 0.1114
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0075 0.1745
Brugia malayi Carboxylesterase family protein 0.2904 0.6847 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0001 0.011
Toxoplasma gondii AGC kinase 0.0042 0.0061 0.7925
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0026 0.3333
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0018 0.0004 0.0036
Echinococcus multilocularis neuroligin 0.0491 0.1124 0.1124
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0004 0.0529
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0018 0.0004 0.0036
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0075 0.1745
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.0255 0.2268
Brugia malayi hypothetical protein 0.0481 0.1103 0.161
Loa Loa (eye worm) hypothetical protein 0.0036 0.0046 0.0067
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0018 0.0004 0.0036
Loa Loa (eye worm) AGC/PKA protein kinase 0.0042 0.0061 0.0089
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0007 0.0053
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.0255 0.2268
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0371 0.084 0.1226
Loa Loa (eye worm) hypothetical protein 0.0129 0.0266 0.0389
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0061 0.0089
Plasmodium falciparum glutathione reductase 0.0049 0.0077 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0046 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0371 0.084 0.1226
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0075 0.0661
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0018 0.0004 0.0036
Loa Loa (eye worm) hypothetical protein 0.0267 0.0595 0.0869
Brugia malayi Carboxylesterase family protein 0.0491 0.1124 0.1642
Mycobacterium tuberculosis Conserved protein 0.0185 0.0398 0.3543
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0018 0.0004 0.0036
Echinococcus multilocularis microtubule associated protein 2 0.2096 0.4932 0.4932
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0075 0.0661
Echinococcus multilocularis para nitrobenzyl esterase 0.0491 0.1124 0.1124
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0007 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0194 0.0284
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0018 0.0004 0.0036
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.004 0.0055 0.0081
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0018 0.0004 0.0029

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.048 uM Inhibition of sphingosine kinase 1 ChEMBL. 20598880

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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