Detailed information for compound 1107807

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.419 | Formula: C19H24N4O2
  • H donors: 2 H acceptors: 4 LogP: 3.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)C)NC(=O)c1ncnc(c1)N(C1CCCCC1)C
  • InChi: 1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)22-19(25)17-11-18(21-12-20-17)23(2)14-6-4-3-5-7-14/h8-12,14,24H,3-7H2,1-2H3,(H,22,25)
  • InChiKey: FNJQXCOVHUVDTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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

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
Toxoplasma gondii heat shock protein 90, putative 0.0134 0.1591 0.3033
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0406 0.0985
Loa Loa (eye worm) endoplasmin 0.0134 0.1591 0.1816
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Chlamydia trachomatis DNA gyrase subunit B 0.0021 0.005 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.1234 0.2992
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0021 0.005 0.005
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.135 0.1541
Trypanosoma brucei Heat shock protein 83, putative 0.0134 0.1591 1
Mycobacterium ulcerans putative regultory protein 0.0021 0.005 0.0121
Mycobacterium ulcerans two component regulator - sensor kinase 0.0021 0.005 0.0121
Trichomonas vaginalis heat shock protein, putative 0.0121 0.1417 0.1417
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.1234 0.2992
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0121 0.1417 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0021 0.005 0.005
Plasmodium falciparum endoplasmin, putative 0.0094 0.104 0.1907
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0021 0.005 0.0313
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0406 0.0686
Trichomonas vaginalis endoplasmin, putative 0.0094 0.104 0.104
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0044 0.0355 0.0861
Trichomonas vaginalis DNA topoisomerase II, putative 0.0021 0.005 0.005
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0081 0.0867 0.5448
Schistosoma mansoni heat shock protein 0.0081 0.0867 0.2102
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Schistosoma mansoni aldehyde dehydrogenase 0.0319 0.4123 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0231 0.0263
Trypanosoma cruzi DNA topoisomerase II, putative 0.0021 0.005 0.0313
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0021 0.005 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0319 0.4123 1
Schistosoma mansoni heat shock protein 0.0134 0.1591 0.3858
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0021 0.005 0.0121
Giardia lamblia Heat shock protein HSP 90-alpha 0.0134 0.1591 1
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Echinococcus multilocularis endoplasmin 0.0121 0.1417 0.3437
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0021 0.005 0.0121
Brugia malayi kinase, mitochondrial precursor 0.0021 0.005 0.0057
Trypanosoma cruzi Heat shock protein 83, putative 0.0134 0.1591 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.1783 0.4324
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0121 0.1417 0.3437
Brugia malayi RNA recognition motif domain containing protein 0.0204 0.2552 0.2914
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0021 0.005 0.0121
Echinococcus granulosus heat shock protein 90 0.0113 0.1301 0.3155
Mycobacterium ulcerans aldehyde dehydrogenase 0.0319 0.4123 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0044 0.0355 0.0677
Plasmodium vivax SET domain protein, putative 0.0094 0.105 0.1926
Loa Loa (eye worm) TOPoisomerase family member 0.0021 0.005 0.0057
Schistosoma mansoni pyruvate dehydrogenase 0.0021 0.005 0.0121
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0081 0.0867 0.2102
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0021 0.005 0.0121
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0021 0.005 0.005
Brugia malayi TAR-binding protein 0.0204 0.2552 0.2914
Mycobacterium tuberculosis Possible two component sensor kinase 0.0021 0.005 0.0121
Echinococcus granulosus survival motor neuron protein 1 0.0279 0.357 0.8659
Trypanosoma brucei developmentally regulated phosphoprotein 0.0021 0.005 0.0313
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0355 0.2232
Schistosoma mansoni hypothetical protein 0.0034 0.0231 0.0559
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0094 0.105 0.2547
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Entamoeba histolytica heat shock protein 90, putative 0.0134 0.1591 1
Echinococcus granulosus heat shock protein 90 0.0134 0.1591 0.3858
Leishmania major hypothetical protein, conserved 0.0021 0.005 0.0121
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0658 0.8757 1
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0021 0.005 0.0121
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.1234 0.2992
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0148 0.1783 0.2036
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0021 0.005 0.0313
Giardia lamblia Heat shock protein HSP 90-alpha 0.0113 0.1301 0.8177
Brugia malayi Endoplasmin precursor 0.0134 0.1591 0.1816
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0021 0.005 0.0121
Brugia malayi MH2 domain containing protein 0.0116 0.135 0.1541
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0021 0.005 0.005
Plasmodium falciparum heat shock protein 90, putative 0.0072 0.075 0.1349
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0406 0.2552
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.1783 0.4324
Mycobacterium tuberculosis Probable two component sensor kinase 0.0021 0.005 0.0121
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0094 0.105 0.2003
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0021 0.005 0.0313
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0094 0.105 0.2547
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0021 0.005 0.0121
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0021 0.005 0.0313
Trypanosoma cruzi heat shock protein 85, putative 0.0113 0.1301 0.8177
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0081 0.0867 0.0867
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0044 0.0355 0.2232
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.1591 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.005 0.0057
Treponema pallidum heat shock protein 90 0.0121 0.1417 1
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0021 0.005 0.0121
Giardia lamblia Grp94/Hsp90 0.0121 0.1417 0.8908
Schistosoma mansoni heat shock protein 0.0134 0.1591 0.3858
Plasmodium vivax heat shock protein 86, putative 0.0134 0.1591 0.2966
Leishmania major heat shock protein, putative 0.0081 0.0867 0.2102
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0021 0.005 0.0121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.1783 0.4324
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0319 0.4123 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0021 0.005 0.0121
Brugia malayi glutathione reductase 0.0047 0.0406 0.0464
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0021 0.005 0.005
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0021 0.005 0.0352
Schistosoma mansoni endoplasmin 0.0134 0.1591 0.3858
Mycobacterium tuberculosis Probable reductase 0.0108 0.1234 0.2992
Trypanosoma cruzi heat shock protein, putative 0.0081 0.0867 0.5448
Loa Loa (eye worm) hypothetical protein 0.0034 0.0231 0.0263
Echinococcus multilocularis survival motor neuron protein 1 0.0279 0.357 0.8659
Plasmodium falciparum heat shock protein 90, putative 0.0401 0.5244 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0319 0.4123 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.1783 0.4324
Echinococcus granulosus inositol monophosphatase 1 0.0044 0.0355 0.0861
Trypanosoma cruzi heat shock protein 90, putative 0.0062 0.06 0.3773
Leishmania major mitochondrial DNA topoisomerase II 0.0021 0.005 0.0121
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0355 0.0355
Loa Loa (eye worm) inositol-1 0.0044 0.0355 0.0405
Echinococcus multilocularis tar DNA binding protein 0.0204 0.2552 0.6189
Mycobacterium leprae Probable two component sensor kinase MprB 0.0021 0.005 0.0352
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0021 0.005 0.0352
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0021 0.005 0.0057
Loa Loa (eye worm) hypothetical protein 0.005 0.0448 0.0512
Plasmodium vivax heat shock protein 90, putative 0.0081 0.0867 0.1572
Mycobacterium ulcerans DNA gyrase subunit B 0.0021 0.005 0.0121
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0021 0.005 0.005
Echinococcus multilocularis heat shock protein 0.0134 0.1591 0.3858
Schistosoma mansoni inositol monophosphatase 0.0044 0.0355 0.0861
Loa Loa (eye worm) TAR-binding protein 0.0204 0.2552 0.2914
Trichomonas vaginalis heat shock protein, putative 0.0121 0.1417 0.1417
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0021 0.005 0.0121
Trypanosoma cruzi heat shock protein 90, putative 0.0134 0.1591 1
Mycobacterium ulcerans heat shock protein 90 0.0121 0.1417 0.3437
Trypanosoma brucei heat shock protein 84, putative 0.0081 0.0867 0.5448
Schistosoma mansoni inositol monophosphatase 0.0044 0.0355 0.0861
Trichomonas vaginalis receptor histidine kinase, putative 0.0021 0.005 0.005
Brugia malayi Probable DNA topoisomerase II 0.0021 0.005 0.0057
Loa Loa (eye worm) hypothetical protein 0.0094 0.105 0.1199
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.1783 0.4324
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.1783 0.4324
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0021 0.005 0.0121
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.1591 1
Mycobacterium leprae Probable two-component sensor kinase 0.0021 0.005 0.0352
Schistosoma mansoni survival motor neuron protein 0.0057 0.0537 0.1303
Loa Loa (eye worm) hypothetical protein 0.0021 0.005 0.0057
Loa Loa (eye worm) glutathione reductase 0.0047 0.0406 0.0464
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0406 0.0985
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0091 0.1003 0.2432
Toxoplasma gondii DNA topoisomerase 2, putative 0.0021 0.005 0.0095
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.1234 0.2992
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2552 0.6189
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0021 0.005 0.0352
Leishmania major DNA topoisomerase ii 0.0021 0.005 0.0121
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0021 0.005 0.0121
Toxoplasma gondii Hsp90 domain-containing protein 0.0401 0.5244 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0021 0.005 0.0095
Plasmodium falciparum heat shock protein 90 0.0134 0.1591 0.2966
Trichomonas vaginalis heat shock protein, putative 0.0134 0.1591 0.1591
Entamoeba histolytica heat shock protein 90, putative 0.0134 0.1591 1
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0021 0.005 0.0352
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0021 0.005 0.0121
Toxoplasma gondii heat shock protein HSP90 0.0134 0.1591 0.3033
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0319 0.4123 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0355 0.0861
Schistosoma mansoni DNA topoisomerase II 0.0021 0.005 0.0121
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Toxoplasma gondii heat shock protein 75, putative 0.0081 0.0867 0.1653
Mycobacterium ulcerans two component sensor kinase MprB 0.0021 0.005 0.0121
Loa Loa (eye worm) heat shock protein 90 0.0134 0.1591 0.1816
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0021 0.005 0.0121
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0021 0.005 0.0095
Echinococcus multilocularis heat shock protein 90 0.0113 0.1301 0.3155
Brugia malayi heat shock protein 90 0.0134 0.1591 0.1816
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0448 0.0512
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2552 0.6189
Loa Loa (eye worm) hypothetical protein 0.0021 0.005 0.0057
Leishmania major developmentally regulated phosphoprotein-like protein 0.0021 0.005 0.0121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0448 0.0512
Echinococcus multilocularis heat shock protein 90 0.0134 0.1591 0.3858
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0021 0.005 0.0313
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0021 0.005 0.0121
Loa Loa (eye worm) heat shock protein 75 0.0081 0.0867 0.099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.105 0.2547
Echinococcus granulosus endoplasmin 0.0121 0.1417 0.3437
Mycobacterium ulcerans aldehyde dehydrogenase 0.0319 0.4123 1
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0406 0.0464
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0021 0.005 0.005
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.0537 0.0613
Chlamydia trachomatis DNA gyrase subunit B 0.0021 0.005 0.5
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Brugia malayi Hsp90 protein 0.0081 0.0867 0.099
Plasmodium vivax endoplasmin, putative 0.0134 0.1591 0.2966
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0021 0.005 0.0313
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2552 0.6189
Mycobacterium ulcerans aldehyde dehydrogenase 0.0319 0.4123 1
Mycobacterium tuberculosis Conserved protein 0.0021 0.005 0.0121
Trypanosoma cruzi heat shock protein 90, putative 0.0113 0.1301 0.8177
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.0293 0.2065
Trichomonas vaginalis set domain proteins, putative 0.0749 1 1
Trichomonas vaginalis sensor histidine kinase, putative 0.0021 0.005 0.005
Entamoeba histolytica DNA topoisomerase II, putative 0.0021 0.005 0.0313
Brugia malayi hypothetical protein 0.0279 0.357 0.4077
Trichomonas vaginalis heat shock protein, putative 0.0094 0.104 0.104
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0021 0.005 0.0352
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0121 0.1417 0.3437
Trichomonas vaginalis inositol monophosphatase, putative 0.0044 0.0355 0.0355
Giardia lamblia Pms1-like protein 0.0021 0.005 0.0313
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0094 0.105 0.2547
Trypanosoma brucei DNA topoisomerase ii 0.0021 0.005 0.0313
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0021 0.005 0.0121
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0021 0.005 0.005
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2552 0.6189
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.105 0.2547
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0113 0.1301 0.3155
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.1398 0.9867
Brugia malayi Inositol-1 0.0044 0.0355 0.0405
Loa Loa (eye worm) hypothetical protein 0.0279 0.357 0.4077
Brugia malayi Pre-SET motif family protein 0.0094 0.105 0.1199
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Echinococcus granulosus heat shock protein 0.0134 0.1591 0.3858
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0021 0.005 0.0057
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.1398 0.3391
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0406 0.0985
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.135 0.1541
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.1783 0.4324
Brugia malayi Thioredoxin reductase 0.0047 0.0406 0.0464
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0021 0.005 0.0121
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0021 0.005 0.0352
Echinococcus granulosus tar DNA binding protein 0.0204 0.2552 0.6189
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0021 0.005 0.0095
Echinococcus multilocularis inositol monophosphatase 1 0.0044 0.0355 0.0861
Plasmodium falciparum glutathione reductase 0.0047 0.0406 0.0686
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.1591 1
Trypanosoma brucei trypanothione reductase 0.0047 0.0406 0.2552
Echinococcus granulosus histone lysine methyltransferase setb 0.0094 0.105 0.2547
Brugia malayi Pre-SET motif family protein 0.0658 0.8757 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0406 0.0686
Schistosoma mansoni endoplasmin 0.0134 0.1591 0.3858
Toxoplasma gondii thioredoxin reductase 0.0047 0.0406 0.0774
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0044 0.0355 0.0355
Plasmodium falciparum thioredoxin reductase 0.0047 0.0406 0.0686
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0448 0.0512
Leishmania major trypanothione reductase 0.0047 0.0406 0.0985
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0021 0.005 0.0352
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Trypanosoma brucei heat shock protein, putative 0.0134 0.1591 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0021 0.005 0.0313
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.1234 0.8706
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0021 0.005 0.0121
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0094 0.105 0.2547
Trichomonas vaginalis heat shock protein, putative 0.0113 0.1301 0.1301
Loa Loa (eye worm) RNA binding protein 0.0204 0.2552 0.2914
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.1398 0.3391
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0021 0.005 0.0121
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0021 0.005 0.0121
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0148 0.1783 0.2036
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.1234 0.2992
Schistosoma mansoni tar DNA-binding protein 0.0204 0.2552 0.6189
Trypanosoma cruzi DNA topoisomerase II, putative 0.0021 0.005 0.0313
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0081 0.0867 0.2102
Schistosoma mansoni hypothetical protein 0.0057 0.0537 0.1303
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0021 0.005 0.0121
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0121 0.1417 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.1398 0.3391
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0021 0.005 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0355 0.2232
Toxoplasma gondii aldehyde dehydrogenase 0.0319 0.4123 0.7863
Trypanosoma brucei heat shock protein 90, putative 0.0134 0.1591 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.0293 0.071
Trypanosoma brucei heat shock protein 90, putative 0.0134 0.1591 1
Plasmodium vivax heat shock protein, putative 0.0401 0.5244 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0021 0.005 0.0121
Onchocerca volvulus 0.0094 0.105 0.105
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0044 0.0355 0.2506
Brugia malayi RNA binding protein 0.0204 0.2552 0.2914
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0021 0.005 0.0121
Trichomonas vaginalis heat shock protein, putative 0.0072 0.075 0.075
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0204 0.2552 0.2914
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0319 0.4123 1
Onchocerca volvulus 0.0057 0.0537 0.0537
Leishmania major heat shock protein 83-1 0.0134 0.1591 0.3858
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0044 0.0355 0.2232

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 655 nM Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay ChEMBL. 20149651
EC50 (binding) = 660 nM 35S-GTPgammaS Binding BINDINGDB. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.