Detailed information for compound 1104381

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 522.538 | Formula: C28H21F3N2O3S
  • H donors: 0 H acceptors: 3 LogP: 7.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: FC(c1cccn2c1nc(c2c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C)Cc1ccccc1)(F)F
  • InChi: 1S/C28H21F3N2O3S/c1-37(34,35)23-13-6-12-22(18-23)36-21-11-5-10-20(17-21)26-25(16-19-8-3-2-4-9-19)32-27-24(28(29,30)31)14-7-15-33(26)27/h2-15,17-18H,16H2,1H3
  • InChiKey: JQOXVKXWQCMPRP-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 nuclear receptor subfamily 1, group H, member 2 Starlite/ChEMBL References
Homo sapiens nuclear receptor subfamily 1, group H, member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
Onchocerca volvulus Bile acid receptor homolog Get druggable targets OG5_134445 All targets in OG5_134445
Brugia malayi ecdysteroid receptor Get druggable targets OG5_134445 All targets in OG5_134445
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor nuclear receptor subfamily 1, group H, member 3 387 aa 321 aa 28.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0016 0.0328 0.0328
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0441 0.0441
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Echinococcus granulosus calpain 5 0.002 0.0448 0.0448
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0008 0.0068 0.0068
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.051 0.0801
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1383 0.217
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.2045 0.2045
Loa Loa (eye worm) hypothetical protein 0.0008 0.0068 0.0068
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0068 0.0068
Echinococcus granulosus neutral sphingomyelinase 0.0008 0.0068 0.0068
Plasmodium vivax importin-beta 2, putative 0.003 0.0772 0.7112
Schistosoma mansoni importin beta-1 0.003 0.0772 0.0772
Schistosoma mansoni thyroid hormone receptor 0.0022 0.051 0.051
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0313
Schistosoma mansoni ap endonuclease 0.0039 0.1057 0.1057
Echinococcus granulosus FTZ F1 alpha 0.0022 0.051 0.051
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0068 0.0068
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0026 0.0625 0.3394
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1331 0.2088
Brugia malayi TAR-binding protein 0.0063 0.1807 0.2835
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0313 0.0313
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0313 0.0313
Trichomonas vaginalis ran, putative 0.0022 0.052 0.4567
Schistosoma mansoni carbon catabolite repressor protein 0.0008 0.0068 0.0068
Schistosoma mansoni ran 0.0022 0.052 0.052
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.024 0.1045
Brugia malayi hypothetical protein 0.0027 0.0687 0.1078
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0068 0.0068
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Loa Loa (eye worm) hypothetical protein 0.0022 0.051 0.051
Echinococcus granulosus calpain A 0.007 0.2045 0.2045
Schistosoma mansoni ap endonuclease 0.0039 0.1057 0.1057
Leishmania major GTP-binding protein, putative 0.0022 0.052 0.275
Loa Loa (eye worm) hypothetical protein 0.0016 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0008 0.0068 0.0068
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.1057 0.1659
Echinococcus multilocularis calpain 5 0.002 0.0448 0.0448
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.1057 1
Onchocerca volvulus 0.0047 0.1306 0.2049
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0968 0.9097
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0068 0.0068
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.1807 0.2835
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0059 0.1679 0.9805
Loa Loa (eye worm) calpain family protein 1 0.0047 0.1306 0.1306
Echinococcus granulosus calpain A 0.002 0.0448 0.0448
Schistosoma mansoni hypothetical protein 0.0012 0.0208 0.0208
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0448 0.0448
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0008 0.0068 0.0068
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.051 0.0801
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1331 0.1331
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.051 0.051
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.051 0.051
Entamoeba histolytica recQ family helicase, putative 0.0013 0.024 0.1735
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.051 0.051
Schistosoma mansoni 6-phosphofructokinase 0.006 0.1711 0.1711
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0591 0.5289
Brugia malayi hypothetical protein 0.0016 0.0328 0.0515
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0968 0.5478
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.051 0.0801
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1807 0.1807
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0144 0.0144
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0328 0.0515
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.051 0.0801
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1331 0.1331
Trypanosoma brucei antigen, putative 0.002 0.0448 0.2315
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0448 0.2315
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.1057 0.6022
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0607 0.5453
Loa Loa (eye worm) hypothetical protein 0.0067 0.1937 0.1937
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0968 0.0968
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.024 0.1735
Loa Loa (eye worm) hypothetical protein 0.0022 0.051 0.051
Loa Loa (eye worm) calpain 5 0.002 0.0448 0.0448
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.051 0.051
Trypanosoma brucei calpain-like protein, putative 0.002 0.0448 0.2315
Echinococcus granulosus GPCR family 2 0.0016 0.0313 0.0313
Brugia malayi nuclear receptor NHR-88 0.0022 0.051 0.0801
Echinococcus multilocularis importin subunit beta 1 0.003 0.0772 0.0772
Echinococcus multilocularis snurportin 1 0.0322 1 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0448 0.0448
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.051 0.0801
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0313 0.0491
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0026 0.0625 0.3394
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0144 0.0766
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1383 0.217
Schistosoma mansoni nocturnin 0.0008 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.006 0.1711 0.1711
Entamoeba histolytica calpain large subunit domain III containing protein 0.002 0.0448 0.3845
Echinococcus multilocularis GPCR, family 2 0.0016 0.0313 0.0313
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.051 0.051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.051 0.051
Schistosoma mansoni cript-related 0.0008 0.0068 0.0068
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.1057 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.051 0.051
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.051 0.0801
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0687 0.377
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.051 0.0801
Brugia malayi nuclear receptor RXR 0.0016 0.0328 0.0515
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0448 0.2315
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0607 0.0607
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0328 0.0328
Echinococcus granulosus synaptojanin 1 0.0008 0.0068 0.0068
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0144 0.0766
Loa Loa (eye worm) hypothetical protein 0.0067 0.1937 0.1937
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0687 0.6261
Echinococcus multilocularis synaptojanin 1 0.0008 0.0068 0.0068
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.052 0.4567
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Loa Loa (eye worm) hypothetical protein 0.0047 0.1306 0.1306
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0448 0.2315
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.051 0.051
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.1057 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.1807 0.1807
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.1057 0.6022
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0352 0.2868
Trypanosoma cruzi kinesin, putative 0.002 0.0448 0.2315
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.052 0.052
Entamoeba histolytica protein kinase, putative 0.002 0.0448 0.3845
Echinococcus multilocularis transcription factor btf3 0.0036 0.0968 0.0968
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1331 0.1331
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0968 0.9097
Loa Loa (eye worm) hypothetical protein 0.0022 0.051 0.051
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0591 0.3185
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0059 0.1679 0.9805
Schistosoma mansoni hypothetical protein 0.0034 0.0888 0.0888
Trypanosoma brucei kinesin, putative 0.002 0.0448 0.2315
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.051 0.0801
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0328 0.0328
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.007 0.2045 0.2045
Echinococcus multilocularis neutral sphingomyelinase 0.0008 0.0068 0.0068
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.1057 0.1057
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.051 0.051
Echinococcus multilocularis geminin 0.0176 0.5392 0.5392
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0144 0.0144
Echinococcus multilocularis traf and tnf receptor associated protein 0.0008 0.0068 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.051 0.051
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.051 0.051
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.1057 1
Onchocerca volvulus 0.0008 0.0068 0.0107
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.024 0.1045
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.1937 0.1937
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.051 0.051
Loa Loa (eye worm) RNA binding protein 0.0063 0.1807 0.1807
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.1057 0.1057
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0345 0.2804
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.051 0.051
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0968 0.5478
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.051 0.051
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1331 0.1331
Trypanosoma brucei calpain-like protein, putative 0.002 0.0448 0.2315
Trypanosoma cruzi kinesin, putative 0.002 0.0448 0.2315
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.006 0.1711 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0313 0.0313
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Brugia malayi nuclear hormone receptor 0.0022 0.051 0.0801
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0328 0.0515
Loa Loa (eye worm) calpain 0.002 0.0448 0.0448
Loa Loa (eye worm) hypothetical protein 0.0049 0.1383 0.1383
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0448 0.0448
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0022 0.051 0.051
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.1057 0.6022
Schistosoma mansoni DNA helicase recq5 0.001 0.0144 0.0144
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0008 0.0068 0.0068
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.051 0.051
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0448 0.2315
Brugia malayi RNA binding protein 0.0063 0.1807 0.2835
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.2045 0.2045
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.051 0.051
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0208 0.0208
Echinococcus granulosus tar DNA binding protein 0.0063 0.1807 0.1807
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Echinococcus granulosus geminin 0.0176 0.5392 0.5392
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.1057 1
Brugia malayi beta-NAC-like protein 0.0036 0.0968 0.1518
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1331 0.1331
Brugia malayi ecdysteroid receptor 0.0207 0.6373 1
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0448 0.0448
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.051 0.0801
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0008 0.0068 0.0068
Echinococcus granulosus bloom syndrome protein 0.0025 0.0607 0.0607
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0448 0.2315
Trypanosoma brucei calpain-like protein, putative 0.002 0.0448 0.2315
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0313 0.0313
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Loa Loa (eye worm) hypothetical protein 0.0022 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0016 0.0328 0.0328
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.006 0.1711 1
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0607 0.0953
Entamoeba histolytica hypothetical protein 0.0036 0.0968 0.9097
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.006 0.1711 0.1711
Loa Loa (eye worm) hypothetical protein 0.0016 0.0328 0.0328
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0772 0.4283
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.052 0.4567
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0207 0.6373 0.6373
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.052 0.275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.051 0.051
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0888 0.1393
Toxoplasma gondii exonuclease III APE 0.0039 0.1057 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0328 0.0328
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.051 0.0801
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0144 0.0144
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.052 0.275
Schistosoma mansoni DNA helicase recq1 0.001 0.0144 0.0144
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.006 0.1711 0.1711
Trypanosoma brucei calpain-like protein, putative 0.002 0.0448 0.2315
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.051 0.051
Schistosoma mansoni coup transcription factor 0.0022 0.051 0.051
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0313 0.0313
Onchocerca volvulus Putative neutral sphingomyelinase 0.0008 0.0068 0.0107
Plasmodium vivax calpain, putative 0.002 0.0448 0.3845
Loa Loa (eye worm) TAR-binding protein 0.0063 0.1807 0.1807
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.051 0.051
Schistosoma mansoni transcription factor btf3 0.0036 0.0968 0.0968
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0448 0.2315
Loa Loa (eye worm) hypothetical protein 0.0016 0.0328 0.0328
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0072 0.004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.051 0.0801
Brugia malayi hypothetical protein 0.0018 0.0379 0.0595
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0328 0.0328
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.051 0.051
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.051 0.0801
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1331 0.1331
Echinococcus granulosus calpain 0.002 0.0448 0.0448
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0144 0.0144
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0035 0.0935 0.8764
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0772 0.7112
Schistosoma mansoni synaptojanin 0.0008 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0034 0.0888 0.0888
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.051 0.0801
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0687 0.6261
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.051 0.051
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.051 0.051
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.051 0.051
Leishmania major kinesin, putative 0.002 0.0448 0.2315
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0008 0.0068 0.0068
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.024 0.1045
Schistosoma mansoni hypothetical protein 0.0176 0.5392 0.5392
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.007 0.2045 0.2045
Brugia malayi CCR4 0.0008 0.0072 0.0113
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.1057 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.051 0.051
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.052 0.275
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0591 0.5289
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0008 0.0072 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.051 0.0801
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.052 0.0815
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.052 0.4567
Loa Loa (eye worm) hypothetical protein 0.0008 0.0068 0.0068
Brugia malayi RNA, U transporter 1 0.0086 0.253 0.397
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.051 0.0801
Echinococcus multilocularis tar DNA binding protein 0.0063 0.1807 0.1807
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0968 0.9097
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0968 0.9097
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0322 1 1
Onchocerca volvulus 0.0008 0.0068 0.0107
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.052 0.052
Brugia malayi calpain family protein 1 0.0067 0.1937 0.3039
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.051 0.0801
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0026 0.0625 0.3394
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0607 0.5453
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.051 0.051
Entamoeba histolytica Ran family GTPase 0.0022 0.052 0.4567
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0968 0.9097
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0968 0.9097
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.052 0.4567
Echinococcus granulosus traf and tnf receptor associated protein 0.0008 0.0068 0.0068
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0687 0.377
Schistosoma mansoni hypothetical protein 0.0322 1 1
Echinococcus granulosus importin subunit beta 1 0.003 0.0772 0.0772
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.051 0.0801
Echinococcus granulosus transcription factor btf3 0.0036 0.0968 0.0968
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.1057 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0144 0.0144
Schistosoma mansoni calpain C (C02 family) 0.002 0.0448 0.0448
Schistosoma mansoni hypothetical protein 0.0176 0.5392 0.5392
Echinococcus multilocularis calpain A 0.007 0.2045 0.2045
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0687 0.6261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1331 0.1331
Echinococcus multilocularis deoxyribonuclease 1 2 0.0008 0.0068 0.0068
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1331 0.1331
Schistosoma mansoni hypothetical protein 0.0016 0.0313 0.0313
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0144 0.0225
Giardia lamblia Hypothetical protein 0.0035 0.0935 0.8764
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0144 0.0766
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0772 0.4283
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.1057 0.6022
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.006 0.1711 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.1679 0.1679
Leishmania major basic transcription factor 3a, putative 0.0036 0.0968 0.5478
Loa Loa (eye worm) hypothetical protein 0.003 0.0772 0.0772
Loa Loa (eye worm) calpain family protein 1 0.0067 0.1937 0.1937
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1383 0.1383
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0208 0.0208
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0008 0.0068 0.0068
Brugia malayi hypothetical protein 0.0016 0.0328 0.0515
Loa Loa (eye worm) RecQ helicase 0.0025 0.0607 0.0607
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.051 0.051
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Schistosoma mansoni calpain (C02 family) 0.002 0.0448 0.0448
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0068 0.0068
Echinococcus granulosus calpain 7 C02 family 0.002 0.0448 0.0448
Brugia malayi calpain 5 0.002 0.0448 0.0703
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0448 0.2315
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0068 0.0068
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.052 0.052
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.1057 1
Onchocerca volvulus Bile acid receptor homolog 0.0207 0.6373 1
Schistosoma mansoni hypothetical protein 0.0008 0.0068 0.0068
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0022 0.051 0.051
Schistosoma mansoni ran 0.0022 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0022 0.051 0.051
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1807 0.1807
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0328 0.0328
Loa Loa (eye worm) hypothetical protein 0.0027 0.0687 0.0687
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0313 0.0491
Loa Loa (eye worm) hypothetical protein 0.0126 0.3792 0.3792
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0591 0.5289
Schistosoma mansoni nuclear hormone receptor 0.0022 0.051 0.051
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1807 0.1807
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0687 0.377
Loa Loa (eye worm) hypothetical protein 0.0047 0.1306 0.1306
Schistosoma mansoni neutral sphingomyelinase 0.0008 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0016 0.0328 0.0328
Leishmania major importin beta-1 subunit, putative 0.0024 0.0591 0.3185
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0144 0.0766
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0059 0.1679 0.9805
Echinococcus multilocularis hypothetical protein 0.002 0.0448 0.0448
Onchocerca volvulus 0.0022 0.051 0.0801
Echinococcus multilocularis calpain family protein 1, d 0.0047 0.1306 0.1306
Brugia malayi steroid hormone receptor 0.0022 0.051 0.0801
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0968 0.5478
Brugia malayi calpain family protein 1 0.0067 0.1937 0.3039
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.1057 1
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0026 0.0625 0.3394
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.051 0.051
Entamoeba histolytica hypothetical protein 0.0024 0.0591 0.5289
Schistosoma mansoni synaptojanin 0.0008 0.0068 0.0068
Echinococcus multilocularis calpain 0.002 0.0448 0.0448
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.051 0.051
Plasmodium falciparum importin beta, putative 0.003 0.0772 0.7112
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1807 0.1807
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.1057 1
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.051 0.051
Brugia malayi Importin beta-1 subunit 0.003 0.0772 0.1211
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.006 0.1711 1
Leishmania major hypothetical protein, conserved 0.0027 0.0687 0.377
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0059 0.1679 0.9805
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Schistosoma mansoni tar DNA-binding protein 0.0063 0.1807 0.1807
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0448 0.2315
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0511 0.4483
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0144 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.051 0.0801
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.1057 0.1057
Loa Loa (eye worm) hypothetical protein 0.0034 0.0903 0.0903
Giardia lamblia Hypothetical protein 0.0035 0.0935 0.8764
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0068 0.0107
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0144 0.0144
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0687 0.6261
Onchocerca volvulus 0.006 0.1711 0.2684
Brugia malayi calpain 7 0.002 0.0448 0.0703
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.051 0.051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.051 0.051
Schistosoma mansoni thyroid hormone receptor 0.0022 0.051 0.051
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.051 0.051
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0968 0.9097

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.02 uM Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay ChEMBL. 20005711
EC50 (functional) = 0.065 uM Increase in cellular triglyceride level in human HepG2 cells ChEMBL. 20005711
EC50 (functional) = 0.12 uM Induction of ABCA1 mRNA upregulation in human THP1 cells ChEMBL. 20005711
EC50 (functional) = 0.144 uM Agonist activity at human Gal4-LBD fused LXRbeta LBD expressed in Huh7 cells by transient transactivation assay ChEMBL. 20005711
Efficacy (functional) = 62 % Agonist activity at human Gal4-LBD fused LXRbeta LBD expressed in Huh7 cells by transient transactivation assay relative to T0901317 ChEMBL. 20005711
Efficacy (functional) = 81 % Increase in cellular triglyceride level in human HepG2 cells relative to T0901317 ChEMBL. 20005711
Efficacy (functional) = 88 % Agonist activity at human Gal4-LBD fused LXRalpha LBD expressed in Huh7 cells by transient transactivation assay relative to T0901317 ChEMBL. 20005711
Efficacy (functional) = 105 % Induction of ABCA1 mRNA upregulation in human THP1 cells relative to T0901317 ChEMBL. 20005711
IC50 (binding) = 0.81 nM Displacement of [3H]T0901317 from human recombinant LXRalpha LBD ChEMBL. 20005711
IC50 (binding) = 5.9 nM Displacement of [3H]T0901317 from human recombinant LXRbeta LBD ChEMBL. 20005711

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20005711

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.