Detailed information for compound 36885

Basic information

Technical information
  • TDR Targets ID: 36885
  • Name: 4-[2-oxo-3-[4-(5-phenylpentoxy)phenoxy]propox y]benzoic acid
  • MW: 448.508 | Formula: C27H28O6
  • H donors: 1 H acceptors: 3 LogP: 6.05 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1)C(=O)O)COc1ccc(cc1)OCCCCCc1ccccc1
  • InChi: 1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
  • InChiKey: LCBOXDJCUOUJBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-keto-3-[4-(5-phenylpentoxy)phenoxy]propoxy]benzoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase A2, group IVB (cytosolic) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_134171 All targets in OG5_134171
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
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0026 0.0026
Echinococcus granulosus importin subunit beta 1 0.0029 0.0716 0.0716
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.1121 0.1182
Toxoplasma gondii dynamin-related protein DRPA 0.0025 0.0573 0.3653
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0026 0.0026
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0463 0.1137
Schistosoma mansoni hypothetical protein 0.0191 0.6016 0.6016
Brugia malayi hypothetical protein 0.0028 0.0688 0.1389
Leishmania major GTP-binding protein, putative 0.0021 0.0463 0.1192
Trichomonas vaginalis dynamin, putative 0.0025 0.0573 0.0269
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0174 0.0174
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0026 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.6419 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0688 0.1516
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0463 0.0463
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0716 0.1579
Trichomonas vaginalis dynamin, putative 0.0025 0.0573 0.0269
Echinococcus multilocularis dynamin 0.0025 0.0573 0.0573
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0026 0.0026
Loa Loa (eye worm) inositol-1 0.0042 0.1121 0.1121
Echinococcus multilocularis cpg binding protein 0.0031 0.0767 0.0767
Plasmodium vivax importin-beta 2, putative 0.0029 0.0716 0.6665
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0026 0.0026
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0463 0.102
Schistosoma mansoni cpg binding protein 0.0031 0.0767 0.0767
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0463 0.2953
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0463 0.3221
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.002 0.0411 0.0829
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0026 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0026 0.0053
Echinococcus multilocularis serotonin transporter 0.0034 0.0869 0.0869
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1567 1
Echinococcus multilocularis geminin 0.0191 0.6016 0.6016
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0026 0.0026
Schistosoma mansoni sodium-dependent amino acid transporter 0.0034 0.0869 0.0869
Echinococcus granulosus cpg binding protein 0.0031 0.0767 0.0767
Schistosoma mansoni inositol monophosphatase 0.0042 0.1121 0.1121
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0026 0.0026
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.0869
Echinococcus granulosus geminin 0.0191 0.6016 0.6016
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.002 0.0411 0.0411
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0535 0.1179
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.5545
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0535 0.0206
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0026 0.0026
Loa Loa (eye worm) solute carrier family 6 member 4 0.0034 0.0869 0.0869
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0026 0.0053
Echinococcus granulosus protein farnesyltransferase subunit beta 0.002 0.0411 0.0411
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0535 0.0206
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1471 0.1471
Schistosoma mansoni cpg binding protein 0.0031 0.0767 0.0767
Schistosoma mansoni hypothetical protein 0.0036 0.0928 0.0928
Schistosoma mansoni cpg binding protein 0.0029 0.0712 0.0712
Trichomonas vaginalis mgm1, putative 0.0025 0.0573 0.0269
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0026 0.0053
Leishmania major importin beta-1 subunit, putative 0.0024 0.0535 0.1378
Treponema pallidum sodium- and chloride- dependent transporter 0.0034 0.0869 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Trypanosoma brucei protein farnesyltransferase beta subunit 0.002 0.0411 0.0906
Echinococcus granulosus dynamin 1 0.0027 0.0635 0.0635
Schistosoma mansoni dynamin 0.0027 0.0635 0.0635
Schistosoma mansoni ran 0.0021 0.0463 0.0463
Schistosoma mansoni sodium/chloride dependent transporter 0.0034 0.0869 0.0869
Brugia malayi Dynamin central region family protein 0.0025 0.0573 0.1156
Echinococcus granulosus dynamin 0.0025 0.0573 0.0573
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0026 0.0026
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0034 0.0869 0.0869
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0299 0.0299
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0034 0.0869 0.0869
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.002 0.0411 0.262
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0978 1
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.002 0.0411 0.0411
Leishmania major geranylgeranyltransferase, putative 0.002 0.0411 0.1058
Trypanosoma cruzi protein farnesyltransferase, putative 0.002 0.0411 0.0906
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0034 0.0869 0.0869
Giardia lamblia Dynamin 0.0025 0.0573 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0026 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0026 0.0026
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0463 0.0463
Trichomonas vaginalis dynamin, putative 0.0025 0.0573 0.0269
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0688 0.6045
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0688 0.1516
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.002 0.0411 0.3645
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0869 1
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0026 0.0053
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.1121 0.1182
Brugia malayi RNA, U transporter 1 0.0083 0.2485 0.5018
Toxoplasma gondii hypothetical protein 0.0034 0.0869 0.5545
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0299 0.0604
Schistosoma mansoni coup transcription factor 0.0008 0.0026 0.0026
Leishmania major lanosterol synthase, putative 0.0126 0.3881 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0026 0.0026
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.002 0.0411 0.0829
Echinococcus multilocularis snurportin 1 0.0312 1 1
Trichomonas vaginalis interferon-induced GTP-binding protein mx, putative 0.0025 0.0573 0.0269
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0026 0.0053
Onchocerca volvulus 0.0034 0.0869 0.1711
Schistosoma mansoni importin beta-1 0.0029 0.0716 0.0716
Schistosoma mansoni hypothetical protein 0.0017 0.0299 0.0299
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0712 0.0712
Loa Loa (eye worm) hypothetical protein 0.002 0.0411 0.0411
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0026 0.0026
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.1755
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.1121 0.1182
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0028 0.0688 0.0688
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.002 0.0411 0.3645
Schistosoma mansoni hypothetical protein 0.0017 0.0299 0.0299
Echinococcus granulosus dynamin 1 protein 0.0025 0.0573 0.0573
Brugia malayi Importin beta-1 subunit 0.0029 0.0716 0.1446
Echinococcus granulosus GPCR family 2 0.0017 0.0299 0.0299
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.5545
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Plasmodium falciparum importin beta, putative 0.0029 0.0716 0.6665
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Plasmodium falciparum dynamin-like protein 0.0025 0.0573 0.3532
Onchocerca volvulus 0.0029 0.0712 0.1393
Trypanosoma cruzi dynamin-1-like protein 0.0025 0.0573 0.1262
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0026 0.0053
Schistosoma mansoni protein farnesyltransferase subunit beta 0.002 0.0411 0.0411
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0026 0.0026
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0026 0.0026
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0411 0.0906
Brugia malayi CXXC zinc finger family protein 0.0029 0.0712 0.1438
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0034 0.0869 0.0869
Schistosoma mansoni ran 0.0021 0.0463 0.0463
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0026 0.0026
Onchocerca volvulus 0.0034 0.0869 0.1711
Echinococcus granulosus sodium and chloride dependent glycine 0.0034 0.0869 0.0869
Echinococcus multilocularis dynamin 1 protein 0.0025 0.0573 0.0573
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.1755
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0688 0.6045
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0978 0.4072
Trypanosoma cruzi lanosterol synthase, putative 0.0145 0.4535 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0026 0.0026
Brugia malayi hypothetical protein 0.0158 0.4953 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0224 0.7103 0.7103
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.002 0.0411 0.0411
Brugia malayi Dynamin 0.0027 0.0635 0.1283
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0034 0.0869 0.1755
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0026 0.0026
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0463 0.102
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1784 0.1784
Plasmodium vivax dynamin protein, putative 0.0025 0.0573 0.3532
Schistosoma mansoni dynamin 0.0025 0.0573 0.0573
Leishmania major farnesyltransferase beta subunit 0.002 0.0411 0.1058
Loa Loa (eye worm) hypothetical protein 0.0036 0.0928 0.0928
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0463 0.102
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.002 0.0411 0.0411
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.002 0.0411 0.0411
Onchocerca volvulus 0.0034 0.0869 0.1711
Brugia malayi hypothetical protein 0.0034 0.0869 0.1755
Echinococcus multilocularis GPCR, family 2 0.0017 0.0299 0.0299
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0716 0.1579
Echinococcus multilocularis sodium and chloride dependent glycine 0.0034 0.0869 0.0869
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0026 0.0053
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.002 0.0411 0.0411
Loa Loa (eye worm) hypothetical protein 0.0052 0.1471 0.1471
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0034 0.0869 0.0869
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0034 0.0869 0.0869
Loa Loa (eye worm) norepinephrine transporter 0.0034 0.0869 0.0869
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.002 0.0411 0.0411
Leishmania major GTP-binding protein, putative 0.0025 0.0573 0.1475
Entamoeba histolytica dynamin-1-like protein, putative 0.0025 0.0573 0.5093
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0026 0.0026
Entamoeba histolytica Ran family GTPase 0.0021 0.0463 0.4111
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0026 0.0053
Toxoplasma gondii dynamin gtpase 0.0016 0.0294 0.1877
Trypanosoma cruzi protein farnesyltransferase, putative 0.002 0.0411 0.0906
Trichomonas vaginalis dynamin, putative 0.0025 0.0573 0.0269
Trichomonas vaginalis dynamin, putative 0.0025 0.0573 0.0269
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.0869
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Leishmania major hypothetical protein, conserved 0.0028 0.0688 0.1772
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.002 0.0411 0.262
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0034 0.0869 0.0869
Echinococcus granulosus serotonin transporter 0.0034 0.0869 0.0869
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0052 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0026 0.0053
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0034 0.0869 0.5
Trichomonas vaginalis dynamin, putative 0.0025 0.0573 0.0269
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0463 0.0934
Schistosoma mansoni hypothetical protein 0.0191 0.6016 0.6016
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0688 0.4388
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0026 0.0026
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.1121 1
Plasmodium falciparum amino acid transporter, putative 0.0034 0.0869 1
Trichomonas vaginalis ran, putative 0.0021 0.0463 0.0087
Schistosoma mansoni dynamin 0.0027 0.0635 0.0635
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0026 0.0026
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0688 0.1516
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0026 0.0026
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1121 0.2888
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0026 0.0026
Trypanosoma brucei dynamin-1-like protein 0.0025 0.0573 0.1262
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0034 0.0869 0.0869
Brugia malayi steroid hormone receptor 0.0008 0.0026 0.0053
Schistosoma mansoni sodium/chloride dependent transporter 0.0034 0.0869 0.0869
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.002 0.0411 0.0906
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0463 0.1137
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0928 0.1875
Loa Loa (eye worm) hypothetical protein 0.0017 0.0299 0.0299
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0224 0.7103 0.7103
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.002 0.0411 0.0411
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.002 0.0411 0.0829
Onchocerca volvulus 0.0158 0.4953 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0299 0.0299
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0026 0.0026
Plasmodium vivax amine transporter, putative 0.0034 0.0869 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0034 0.0869 0.0869
Echinococcus multilocularis sodium and chloride dependent glycine 0.0034 0.0869 0.0869
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0026 0.0053
Brugia malayi Dynamin 0.0027 0.0635 0.1283
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.1121 0.1121
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0174 0.0174
Loa Loa (eye worm) hypothetical protein 0.0027 0.0635 0.0635
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0052 0.0052
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0224 0.7103 0.7103
Schistosoma mansoni hypothetical protein 0.0017 0.0299 0.0299
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0026 0.0026
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.1755
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.5545
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0716 0.0716
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.002 0.0411 0.3645
Entamoeba histolytica dynamin-like protein 0.0025 0.0573 0.5093
Trypanosoma cruzi lanosterol synthase, putative 0.0145 0.4535 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.1121 0.7153
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0026 0.0053
Plasmodium vivax dynamin-like protein, putative 0.0025 0.0573 0.3532
Toxoplasma gondii hypothetical protein 0.0034 0.0869 0.5545
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.002 0.0411 0.0906
Trypanosoma brucei lanosterol synthase 0.0145 0.4535 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1121 0.2472
Echinococcus multilocularis dynamin 1 0.0027 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Schistosoma mansoni sodium/chloride dependent transporter 0.0034 0.0869 0.0869
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.1121 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0034 0.0869 0.0869
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1471 0.297
Entamoeba histolytica hypothetical protein 0.0024 0.0535 0.4754
Schistosoma mansoni hypothetical protein 0.0017 0.0299 0.0299
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0463 0.0463
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0034 0.0869 0.1755
Brugia malayi nuclear hormone receptor 0.0008 0.0026 0.0053
Brugia malayi hypothetical protein 0.0018 0.0358 0.0722
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0026 0.0053
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.1121 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0026 0.0026
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0034 0.0869 0.0869
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0026 0.0026
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.002 0.0411 0.262
Loa Loa (eye worm) serotonin transporter b 0.0034 0.0869 0.0869
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0026 0.0026
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0224 0.7103 0.7103
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0312 1 1
Loa Loa (eye worm) hypothetical protein 0.0224 0.7103 0.7103
Brugia malayi nuclear receptor NHR-88 0.0008 0.0026 0.0053
Toxoplasma gondii dynamin-related protein DRPB 0.0025 0.0573 0.3653
Loa Loa (eye worm) hypothetical protein 0.0158 0.4953 0.4953
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0034 0.0869 0.0869
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0026 0.0053
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0224 0.7103 0.7103
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0052 0.0052
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0688 0.6045
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0026 0.0026
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0299 0.0604
Echinococcus granulosus sodium and chloride dependent glycine 0.0034 0.0869 0.0869
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.1121 0.1121
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1121 0.2472
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0224 0.7103 0.7103
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.1121 0.2472
Schistosoma mansoni inositol monophosphatase 0.0042 0.1121 0.1121
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0081 0.2402 1
Schistosoma mansoni hypothetical protein 0.0312 1 1
Brugia malayi Inositol-1 0.0042 0.1121 0.2263
Trypanosoma brucei dynamin-1-like protein 0.0025 0.0573 0.1262
Onchocerca volvulus 0.0034 0.0869 0.1711
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0026 0.0053
Plasmodium falciparum transporter, putative 0.0034 0.0869 1
Plasmodium falciparum dynamin-like protein 0.0025 0.0573 0.3532
Loa Loa (eye worm) DRP-1 protein 0.0025 0.0573 0.0573
Schistosoma mansoni hypothetical protein 0.0013 0.0174 0.0174
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1471 0.297
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0026 0.0026
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0299 0.0299
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.002 0.0411 0.0411
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.002 0.0411 0.0411
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0049 0.0098
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0411 0.0906
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0029 0.0716 0.0716
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0535 0.0206
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0716 0.457
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0026 0.0026
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0026 0.0053
Brugia malayi ecdysteroid receptor 0.0008 0.0026 0.0053

Activities

Activity type Activity value Assay description Source Reference
clogP = 6.6 Calculated partition coefficient (clogP) ChEMBL. 15203135
clogP = 6.6 Calculated partition coefficient (clogP) ChEMBL. 11882004
IC50 (binding) = 0.048 uM Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay ChEMBL. 11882004
IC50 (binding) = 0.048 uM Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by bilayer assay ChEMBL. 11882004
IC50 (binding) = 0.46 uM In vitro inhibition of human recombinant cytosolic phsopholipase A2 (c-PLA2). ChEMBL. 15203135
IC50 (binding) = 0.46 uM Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay ChEMBL. 11882004
IC50 (binding) = 0.46 uM Inhibitory activity against cytosolic Phospholipase A2 (PLA2) by soluble assay ChEMBL. 11882004
IC50 (functional) = 2.6 uM Inhibition of [3H]-Arachidonic acid production by stimulated HL60 (human leukaemia) cells. ChEMBL. 15203135
IC50 (functional) = 2.6 uM Inhibition of [3H]-Arachidonic acid production by stimulated HL60 (human leukaemia) cells. ChEMBL. 15203135

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15203135

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

2 literature references were collected for this gene.

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