Detailed information for compound 512869

Basic information

Technical information
  • TDR Targets ID: 512869
  • Name: 5-chloro-3-[4-[4-(4-chlorophenyl)piperazin-1- yl]butyl]-3-ethyl-6-fluoro-1H-indol-2-one
  • MW: 464.403 | Formula: C24H28Cl2FN3O
  • H donors: 1 H acceptors: 1 LogP: 5.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1(CCCCN2CCN(CC2)c2ccc(cc2)Cl)C(=O)Nc2c1cc(Cl)c(c2)F
  • InChi: 1S/C24H28Cl2FN3O/c1-2-24(19-15-20(26)21(27)16-22(19)28-23(24)31)9-3-4-10-29-11-13-30(14-12-29)18-7-5-17(25)6-8-18/h5-8,15-16H,2-4,9-14H2,1H3,(H,28,31)
  • InChiKey: UGUFLBWATQHHEI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-3-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-3-ethyl-6-fluoro-indolin-2-one
  • 5-chloro-3-[4-[4-(4-chlorophenyl)-1-piperazinyl]butyl]-3-ethyl-6-fluoro-2-indolinone
  • 5-chloro-3-[4-[4-(4-chlorophenyl)piperazino]butyl]-3-ethyl-6-fluoro-oxindole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133074 All targets in OG5_133074
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Echinococcus granulosus bloom syndrome protein 0.0022 0.0148 0.0212
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0166
Onchocerca volvulus Putative organic anion transporter 0.0029 0.0224 0.0321
Echinococcus granulosus lamin dm0 0.0028 0.0219 0.0313
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1238 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0091 0.013
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0029 0.0224 0.0224
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0091 0.013
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0121 0.0174
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Loa Loa (eye worm) hypothetical protein 0.0013 0.0038 0.0055
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0132 0.0189
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0249 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Plasmodium vivax vivapain-2 0.0017 0.0091 0.1073
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0132 0.0189
Echinococcus granulosus cathepsin l1 0.0017 0.0091 0.013
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0045 0.0064
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.002 0.0121 0.0174
Brugia malayi Cathepsin L-like precursor 0.0017 0.0091 0.013
Echinococcus granulosus lamin 0.0028 0.0219 0.0313
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0121 0.0174
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1238 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Schistosoma mansoni sodium-bile acid cotransporter related 0.0341 0.3974 0.569
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Onchocerca volvulus 0.0029 0.0224 0.0321
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0321
Brugia malayi steroid hormone receptor 0.0021 0.0132 0.0189
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0091 0.0091
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0062 0.0089
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0166
Brugia malayi Cathepsin L-like precursor 0.0017 0.0091 0.013
Brugia malayi sodium-independent organic anion transporter family protein 0.0029 0.0224 0.0321
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0121 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0121 0.0817
Brugia malayi prostaglandin transporter 0.0029 0.0224 0.0321
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0132 0.0189
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0132 0.0189
Toxoplasma gondii cathepsin CPL 0.0017 0.0091 0.1143
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0132 0.0132
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0249 0.1863
Schistosoma mansoni coup transcription factor 0.0021 0.0132 0.0189
Brugia malayi regulator of G-protein signaling rgs-7 0.002 0.0121 0.0174
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0132 0.0189
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0113 0.1238 1
Toxoplasma gondii ABC1 family protein 0.0037 0.0331 1
Brugia malayi nuclear receptor RXR 0.0011 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Echinococcus multilocularis musashi 0.0028 0.0219 0.0219
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0121 0.0174
Brugia malayi Phospholipase A2 family protein 0.0094 0.1012 0.1448
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0132 0.0189
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0037 0.0331 0.0474
Toxoplasma gondii transporter, major facilitator family protein 0.0029 0.0224 0.6058
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Schistosoma mansoni organic anion transporter 0.0029 0.0224 0.0321
Brugia malayi Cathepsin L-like precursor 0.0017 0.0091 0.013
Echinococcus granulosus agrin 0.0019 0.0116 0.0166
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0331 0.2543
Echinococcus multilocularis lamin 0.0028 0.0219 0.0219
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.1238 1
Entamoeba histolytica hypothetical protein 0.002 0.0121 0.0817
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0132 0.0189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Onchocerca volvulus 0.0037 0.0331 0.0474
Entamoeba histolytica hypothetical protein 0.002 0.0121 0.0817
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0132 0.0189
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0132 0.0189
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0321
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.002
Leishmania major cathepsin L-like protease 0.0017 0.0091 0.0549
Echinococcus granulosus Solute carrier organic anion transporter family 0.0029 0.0224 0.0321
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0022 0.0031
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0121 0.0121
Echinococcus granulosus Regulator of G protein signaling 20 0.002 0.0121 0.0174
Loa Loa (eye worm) PXA domain-containing protein 0.002 0.0121 0.0174
Brugia malayi PXA domain containing protein 0.002 0.0121 0.0174
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0331 0.0331
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0132 0.0132
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0148 0.0212
Loa Loa (eye worm) hypothetical protein 0.0037 0.0331 0.0474
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0091 0.0568
Onchocerca volvulus 0.0029 0.0224 0.0321
Brugia malayi sodium-independent organic anion transporter family protein 0.0029 0.0224 0.0321
Leishmania major hypothetical protein, conserved 0.0037 0.0331 0.2529
Onchocerca volvulus 0.0037 0.0331 0.0474
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0024 0.002
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.0116 0.2057
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0121 0.0174
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0321
Schistosoma mansoni axis inhibition protein axin 0.002 0.0121 0.0174
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0121 0.0121
Leishmania major cathepsin L-like protease 0.0066 0.0678 0.5385
Leishmania major cathepsin L-like protease 0.0017 0.0091 0.0549
Onchocerca volvulus Phospholipase A2 homolog 0.0094 0.1012 0.1448
Brugia malayi secreted modular calcium-binding protein 1 0.0019 0.0116 0.0166
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0091 0.013
Loa Loa (eye worm) hypothetical protein 0.0014 0.0045 0.0064
Trichomonas vaginalis esterase, putative 0.0037 0.0331 0.2543
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.1238 0.1773
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0132 0.0189
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0132 0.0189
Echinococcus multilocularis expressed protein 0.0019 0.0116 0.0116
Echinococcus multilocularis expressed protein 0.0388 0.4539 0.4539
Onchocerca volvulus 0.0019 0.0116 0.0166
Loa Loa (eye worm) hypothetical protein 0.002 0.0121 0.0174
Schistosoma mansoni 6-phosphofructokinase 0.0113 0.1238 0.1773
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.002 0.0121 0.0817
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0678 0.5385
Brugia malayi hypothetical protein 0.0029 0.0224 0.0321
Loa Loa (eye worm) hypothetical protein 0.0013 0.0038 0.0055
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0132 0.0189
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Brugia malayi Sodium Bile acid symporter family protein 0.0592 0.6985 1
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0091 0.013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Loa Loa (eye worm) hypothetical protein 0.002 0.0121 0.0174
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0132 0.0189
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0678 0.5385
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0249 0.5
Loa Loa (eye worm) hypothetical protein 0.0592 0.6985 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Echinococcus multilocularis lamin dm0 0.0028 0.0219 0.0219
Loa Loa (eye worm) cysteine protease 0.0017 0.0091 0.013
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0132 0.0189
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0678 0.5385
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0132 0.0189
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0321
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.1238 0.1773
Echinococcus granulosus cathepsin l1 0.0012 0.0022 0.0031
Echinococcus multilocularis 6 phosphofructokinase 0.0113 0.1238 0.1238
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0132 0.0189
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.002 0.0121 0.0121
Schistosoma mansoni lamin 0.0028 0.0219 0.0313
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0321
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0331 0.2529
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0091 0.013
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0132 0.0132
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0091 0.013
Echinococcus granulosus axis inhibition protein axin 0.002 0.0121 0.0174
Schistosoma mansoni regulator of G protein signaling 0.002 0.0121 0.0174
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0029 0.0224 0.0224
Loa Loa (eye worm) RecQ helicase 0.0022 0.0148 0.0212
Brugia malayi hypothetical protein 0.0011 0.0014 0.002
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0132 0.0189
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0132 0.0189
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0132 0.0132
Loa Loa (eye worm) ctsf protein 0.0017 0.0091 0.013
Onchocerca volvulus 0.0028 0.0219 0.0313
Onchocerca volvulus 0.0017 0.0091 0.013
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0037 0.0331 0.0474
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0121 0.0121
Brugia malayi 6-phosphofructokinase 0.0113 0.1238 0.1773
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0113 0.1238 0.3747
Loa Loa (eye worm) RGS-3 protein 0.002 0.0121 0.0174
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.002 0.0121 0.0174
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0132 0.0189
Schistosoma mansoni lamin 0.0028 0.0219 0.0313
Entamoeba histolytica hypothetical protein 0.002 0.0121 0.0817
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0121 0.0121
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0132 0.0189
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0121 0.0121
Onchocerca volvulus 0.0012 0.0022 0.0031
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0091 0.0549
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0132 0.0189
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0249 0.1863
Schistosoma mansoni biogenic amine (5HT) receptor 0.0462 0.5429 0.7773
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.002 0.0121 0.0174
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.002 0.0121 0.0174
Echinococcus granulosus intermediate filament protein 0.0028 0.0219 0.0313
Onchocerca volvulus 0.0017 0.0091 0.013
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0249 0.1863
Brugia malayi hypothetical protein 0.002 0.0121 0.0174
Trypanosoma cruzi MFS transporter, putative 0.0029 0.0224 0.1648
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0029 0.0224 0.0321
Loa Loa (eye worm) hypothetical protein 0.0028 0.0219 0.0313
Loa Loa (eye worm) beta-lactamase 0.0037 0.0331 0.0474
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0014 0.002
Brugia malayi Cathepsin L-like precursor 0.0017 0.0091 0.013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Echinococcus granulosus beta-adrenergic receptor kinase 0.002 0.0121 0.0174
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0014 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0121 0.0817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Schistosoma mansoni sodium-bile acid cotransporter related 0.0592 0.6985 1
Schistosoma mansoni regulator of G protein signaling 0.002 0.0121 0.0174
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.0609 0.4816
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0062 0.0089
Schistosoma mansoni regulator of G protein signaling 0.002 0.0121 0.0174
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0331 0.2543
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.0024 0.002
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.002 0.0121 0.0174
Loa Loa (eye worm) hypothetical protein 0.002 0.0121 0.0174
Loa Loa (eye worm) 6-phosphofructokinase 0.0113 0.1238 0.1773
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1238 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0132 0.0189
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0091 0.013
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0121 0.0174
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0219 0.0313
Brugia malayi beta-lactamase family protein 0.0037 0.0331 0.0474
Schistosoma mansoni follistatin 0.0019 0.0116 0.0166
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0091 0.0091
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0132 0.0189
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0132 0.0189
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0091 0.013
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.0116 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Onchocerca volvulus 0.0017 0.0091 0.013
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0132 0.0189
Brugia malayi PXA domain containing protein 0.002 0.0121 0.0174
Schistosoma mansoni hypothetical protein 0.0176 0.1996 0.2858
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0331 0.2543
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0132 0.0189
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0091 0.0091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0132 0.0189
Brugia malayi nuclear receptor NHR-88 0.0021 0.0132 0.0189
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0678 0.5385
Onchocerca volvulus 0.0017 0.0091 0.013
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0019 0.0116 0.0166
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0219 0.0313
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0132 0.0189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0132 0.0132
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0219 0.0313
Schistosoma mansoni agrin 0.0019 0.0116 0.0166
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0132 0.0189
Brugia malayi 6-phosphofructokinase 0.0113 0.1238 0.1773
Plasmodium vivax vivapain-2 0.0017 0.0091 0.1073
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0121 0.0174
Echinococcus multilocularis sodium bile acid cotransporter 0.0592 0.6985 0.6985
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0132 0.0189
Loa Loa (eye worm) hypothetical protein 0.0447 0.5247 0.7513
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0331 0.0474
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0331 0.0474
Schistosoma mansoni organic anion transporter 0.0029 0.0224 0.0321
Brugia malayi regulator of G-protein signaling egl-10 0.002 0.0121 0.0174
Echinococcus multilocularis sodium bile acid cotransporter 0.0592 0.6985 0.6985
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0132 0.0189
Echinococcus multilocularis beta adrenergic receptor kinase 0.002 0.0121 0.0121
Echinococcus multilocularis geminin 0.0176 0.1996 0.1996
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0321
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0132 0.0132
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Loa Loa (eye worm) hypothetical protein 0.0017 0.0091 0.013
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0113 0.1238 1
Leishmania major cathepsin L-like protease 0.0066 0.0678 0.5385
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0249 0.6947
Brugia malayi sodium-independent organic anion transporter family protein 0.0029 0.0224 0.0321
Loa Loa (eye worm) hypothetical protein 0.0018 0.0094 0.0135
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0249 0.1863
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0132 0.0189
Loa Loa (eye worm) fibroinase 0.0017 0.0091 0.013
Loa Loa (eye worm) hypothetical protein 0.0012 0.0022 0.0031
Echinococcus multilocularis follistatin 0.0019 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0037 0.0331 0.0474
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.0116 0.0166
Entamoeba histolytica cysteine protease, putative 0.0017 0.0091 0.0568
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0132 0.0189
Echinococcus multilocularis regulator of G protein signaling 0.002 0.0121 0.0121
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0249 0.1863
Leishmania major cathepsin L-like protease 0.0017 0.0091 0.0549
Echinococcus granulosus biogenic amine 5HT receptor 0.0462 0.5429 0.7773
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0132 0.0189
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0148 0.1039
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0132 0.0189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0132 0.0189
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0091 0.0568
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0121 0.0174
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0249 0.6947
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0249 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Onchocerca volvulus Putative organic anion transporter 0.0029 0.0224 0.0321
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0249 0.1863
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0331 0.2529
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0249 0.6923
Echinococcus granulosus expressed protein 0.0388 0.4539 0.6499
Onchocerca volvulus 0.0021 0.0132 0.0189
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0132 0.0189
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0121 0.0817
Loa Loa (eye worm) hypothetical protein 0.0012 0.0022 0.0031
Schistosoma mansoni regulator of G protein signaling 0.002 0.0121 0.0174
Echinococcus granulosus follistatin 0.0019 0.0116 0.0166
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0121 0.0817
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1238 1
Brugia malayi beta-lactamase 0.0037 0.0331 0.0474
Brugia malayi Cathepsin L-like precursor 0.0017 0.0091 0.013
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0508 0.3982
Echinococcus granulosus geminin 0.0176 0.1996 0.2858
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0166
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0132 0.0189
Onchocerca volvulus 0.0029 0.0224 0.0321
Brugia malayi nuclear hormone receptor 0.0021 0.0132 0.0189
Onchocerca volvulus 0.0029 0.0224 0.0321
Schistosoma mansoni sodium-bile acid cotransporter 0.0251 0.2892 0.4141
Loa Loa (eye worm) hypothetical protein 0.0019 0.0116 0.0166
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0121 0.0817
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0132 0.0189
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0092 0.0132
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0091 0.0549
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Brugia malayi cathepsin L-like precursor 0.0012 0.0022 0.0031
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0022 0.0031
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0249 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0132 0.0132
Onchocerca volvulus Putative organic anion transporter 0.0029 0.0224 0.0321
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.0116 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Onchocerca volvulus Phospholipase A2 homolog 0.0447 0.5247 0.7513
Loa Loa (eye worm) hypothetical protein 0.0037 0.0331 0.0474
Loa Loa (eye worm) hypothetical protein 0.002 0.0121 0.0174
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0249 0.6947
Onchocerca volvulus 0.0028 0.0219 0.0313
Leishmania major cathepsin L-like protease 0.0066 0.0678 0.5385
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0045 0.0045
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0121 0.0121
Echinococcus granulosus sodium bile acid cotransporter 0.0592 0.6985 1
Brugia malayi hypothetical protein 0.0011 0.0014 0.002
Brugia malayi Cathepsin L-like precursor 0.0012 0.0022 0.0031
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0029 0.0224 0.0321
Brugia malayi SPARC precursor 0.0019 0.0116 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0331 0.0474
Onchocerca volvulus 0.0017 0.0091 0.013
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0331 0.2543
Leishmania major cathepsin L-like protease 0.0017 0.0091 0.0549
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0022 0.0031
Echinococcus granulosus sodium bile acid cotransporter 0.0592 0.6985 1
Echinococcus multilocularis cysteine protease 0.0017 0.0091 0.0091
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0331 0.2543
Onchocerca volvulus 0.0037 0.0331 0.0474
Schistosoma mansoni z-protein (S1r protein) 0.002 0.0121 0.0174
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.0116 0.0166
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Schistosoma mansoni regulator of G protein signaling 0.002 0.0121 0.0174
Brugia malayi hypothetical protein 0.0029 0.0224 0.0321
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0148 0.1039
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0249 0.6923
Loa Loa (eye worm) hypothetical protein 0.002 0.0121 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0132 0.0189
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0091 0.0568
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0121 0.0174
Onchocerca volvulus 0.0017 0.0091 0.013
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0113 0.1238 1
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0132 0.0189
Onchocerca volvulus 0.0029 0.0224 0.0321
Onchocerca volvulus 0.0592 0.6985 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0331 0.0474
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0014 0.002
Brugia malayi intermediate filament protein 0.0028 0.0219 0.0313
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0331 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Mycobacterium ulcerans 6-phosphofructokinase 0.0113 0.1238 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0116 0.1587
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0462 0.5429 0.5429
Schistosoma mansoni hypothetical protein 0.0176 0.1996 0.2858
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0132 0.0189
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0121 0.0174
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.0116 0.2057
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0132 0.0189
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0091 0.0091
Brugia malayi Cathepsin L-like precursor 0.0017 0.0091 0.013
Echinococcus multilocularis cysteine protease 0.0017 0.0091 0.0091
Echinococcus multilocularis agrin 0.0019 0.0116 0.0116
Brugia malayi A-kinase anchor protein 10, precursor 0.002 0.0121 0.0174
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0014 0.002
Loa Loa (eye worm) phosphofructokinase 0.0113 0.1238 0.1773
Loa Loa (eye worm) agrin synaptic family protein 0.0019 0.0116 0.0166
Echinococcus multilocularis sodium bile acid cotransporter 0.0592 0.6985 0.6985
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1238 1
Echinococcus multilocularis Regulator of G protein signaling 20 0.002 0.0121 0.0121
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0132 0.0132
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.2752 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.002
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0249 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.0116 0.2057
Leishmania major cathepsin L-like protease 0.0017 0.0091 0.0549
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0091 0.0568
Onchocerca volvulus 0.0017 0.0091 0.013
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0132 0.0189
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0331 0.2529
Brugia malayi hypothetical protein 0.002 0.0121 0.0174
Schistosoma mansoni intermediate filament proteins 0.0028 0.0219 0.0313
Echinococcus granulosus axis inhibition protein axin 0.002 0.0121 0.0174
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0331 0.0474
Echinococcus granulosus 6 phosphofructokinase 0.0113 0.1238 0.1773
Brugia malayi ecdysteroid receptor 0.0021 0.0132 0.0189
Schistosoma mansoni axis inhibition protein axin 0.002 0.0121 0.0174
Entamoeba histolytica phosphofructokinase, putative 0.0113 0.1238 1
Brugia malayi phosphofructokinase 0.0113 0.1238 0.1773
Loa Loa (eye worm) hypothetical protein 0.002 0.0121 0.0174
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0331 0.0474
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0091 0.013
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0091 0.0568
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0014 0.002
Trichomonas vaginalis phosphofructokinase, putative 0.0113 0.1238 1
Toxoplasma gondii protease inhibitor PI2 0.0019 0.0116 0.2057
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0121 0.0817
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0121 0.0174
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0091 0.013
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0249 0.1863
Brugia malayi Cathepsin L-like precursor 0.0012 0.0022 0.0031
Brugia malayi beta-lactamase family protein 0.0037 0.0331 0.0474
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0091 0.0568
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0249 0.1863
Loa Loa (eye worm) hypothetical protein 0.0094 0.1012 0.1448
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0132 0.0189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0678 0.5385
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0132 0.0189
Leishmania major ATP-dependent phosphofructokinase 0.0113 0.1238 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.0116 0.2057
Loa Loa (eye worm) hypothetical protein 0.0028 0.0212 0.0304
Echinococcus granulosus sodium bile acid cotransporter 0.0592 0.6985 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0029 0.0224 0.0321
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0132 0.0189
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.002 0.0121 0.0174
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0189
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0132 0.0189

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat frontal cortex membrane at 10 nM ChEMBL. 18361484
Activity (binding) = 0 % Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat frontal cortex membrane at 0.1 uM ChEMBL. 18361484
Activity (binding) = 0 % Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat frontal cortex membrane at 0.1 uM ChEMBL. 18361484
Activity (functional) > 95 % Antagonist activity at human 5HT7A receptor expressed in CHO cells assessed as inhibition of 5-carboxytryptamine-induced cAMP elevation at 1 uM ChEMBL. 18361484
Activity (functional) > 95 % Antagonist activity at human 5HT7A receptor expressed in CHO cells assessed as inhibition of 5-carboxytryptamine-induced cAMP elevation at 1 uM ChEMBL. 18361484
Inhibition (binding) = 0 % Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat frontal cortex membrane at 10'-7 M after 45 mins by scintillation counting ChEMBL. 21859099
Ki (binding) = 6.99 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells ChEMBL. 18361484
Ki (binding) = 6.99 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells ChEMBL. 18361484
Ki (binding) = 10 nM Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry ChEMBL. 21859099
MED (functional) Anxiolytic activity in ip dosed NMRI mouse assessed as behavioral activity for 5 mins by light dark assay ChEMBL. 18361484
MED (functional) Antidepressant activity in ip dosed NMRI mouse assessed as decrease in immobility time administered 30 mins prior to test measured last 4 mins of 6 mins testing period by forced swimming test ChEMBL. 21859099
MED (functional) Anxiolytic activity in ip dosed NMRI mouse assessed as behavioral activity administered 30 mins prior to test measured up to 5 mins by light-dark test ChEMBL. 21859099
MED (functional) 0 Anxiolytic activity in ip dosed Wistar rat assessed as number of punished licks for 5 mins by conflict drinking test ChEMBL. 18361484
MED (functional) 0 Anxiolytic activity in ip dosed NMRI mouse assessed as behavioral activity for 5 mins by light dark assay ChEMBL. 18361484

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

2 literature references were collected for this gene.

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