Detailed information for compound 512871

Basic information

Technical information
  • TDR Targets ID: 512871
  • Name: 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1- yl]butyl]-1H-indol-2-one
  • MW: 407.548 | Formula: C25H33N3O2
  • H donors: 1 H acceptors: 1 LogP: 4.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1(CCCCN2CCN(CC2)c2cccc(c2)OC)C(=O)Nc2c1cccc2
  • InChi: 1S/C25H33N3O2/c1-3-25(22-11-4-5-12-23(22)26-24(25)29)13-6-7-14-27-15-17-28(18-16-27)20-9-8-10-21(19-20)30-2/h4-5,8-12,19H,3,6-7,13-18H2,1-2H3,(H,26,29)
  • InChiKey: ZBHUAHSLHYQJKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]indolin-2-one
  • 3-ethyl-3-[4-[4-(3-methoxyphenyl)-1-piperazinyl]butyl]-2-indolinone
  • 3-ethyl-3-[4-[4-(3-methoxyphenyl)piperazino]butyl]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
Schistosoma mansoni 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
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 regulator of G protein signaling 5, rgs5, putative 0.0019 0.001 0.0074
Onchocerca volvulus 0.0084 0.0332 0.2665
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0109 0.0776
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.0464 0.0464
Brugia malayi Pre-SET motif family protein 0.0029 0.0062 0.0589
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.0464 0.0464
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.011 0.0463 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0062 0.0285
Loa Loa (eye worm) hypothetical protein 0.0082 0.0324 0.2157
Loa Loa (eye worm) dihydrofolate reductase 0.0188 0.0851 0.5783
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0109 0.235
Brugia malayi PXA domain containing protein 0.0019 0.001 0.0097
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0125 0.0891
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.001 0.0097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0062 0.0285
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.011 0.0463 1
Echinococcus granulosus dnaJ subfamily B 0.0402 0.1912 0.8713
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0463 1
Schistosoma mansoni regulator of G protein signaling 0.0019 0.001 0.0047
Echinococcus granulosus GMP synthase glutamine hydrolyzing 0.0036 0.0095 0.0434
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0463 1
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.001 0.0047
Mycobacterium tuberculosis Glutamine-dependent NAD(+) synthetase NadE (NAD(+) synthase [glutamine-hydrolysing]) 0.009 0.0363 0.0363
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0057 0.026
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.004 0.0117 0.0733
Toxoplasma gondii glutamine-dependent NAD(+) synthetase protein, putative 0.009 0.0363 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0197 0.425
Schistosoma mansoni regulator of G protein signaling 0.0019 0.001 0.0047
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0072 0.0274 0.5923
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.011 0.0463 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0157 0.0715
Mycobacterium ulcerans NAD synthetase 0.009 0.0363 0.0363
Schistosoma mansoni hypothetical protein 0.0402 0.1912 0.8713
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0062 0.1719
Loa Loa (eye worm) hypothetical protein 0.0039 0.0109 0.0681
Schistosoma mansoni ap endonuclease 0.0039 0.0109 0.0495
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.0525 0.0525
Brugia malayi glutathione reductase 0.0048 0.0157 0.1478
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.001 0.0047
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.011 0.0463 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.0642 0.5703
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0109 0.0109
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0062 0.0285
Echinococcus multilocularis lamin 0.0084 0.0332 0.1511
Plasmodium falciparum thioredoxin reductase 0.0048 0.0157 0.4317
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0157 0.1008
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.0525 0.0525
Schistosoma mansoni axis inhibition protein axin 0.0019 0.001 0.0047
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0109 0.0776
Trypanosoma brucei trypanothione reductase 0.0048 0.0157 0.339
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.001 0.0074
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0062 0.0285
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0109 0.0677
Echinococcus multilocularis lamin dm0 0.0084 0.0332 0.1511
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0084 0.0332 0.2209
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0109 0.235
Echinococcus granulosus intermediate filament protein 0.0084 0.0332 0.1511
Echinococcus granulosus biogenic amine 5HT receptor 0.0459 0.2195 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.0624 0.2843
Loa Loa (eye worm) hypothetical protein 0.0084 0.0332 0.2209
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.001 0.0047
Brugia malayi hypothetical protein 0.0019 0.001 0.0097
Onchocerca volvulus UPF0528 protein homolog 0.004 0.0116 0.0529
Loa Loa (eye worm) hypothetical protein 0.0036 0.0095 0.0585
Brugia malayi PXA domain containing protein 0.0019 0.001 0.0097
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0157 0.0715
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.001 0.0074
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.0464 0.0464
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0197 0.0896
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0109 0.0495
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0125 0.0568
Brugia malayi intermediate filament protein 0.0084 0.0332 0.3125
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.001 0.0047
Schistosoma mansoni lamin 0.0084 0.0332 0.1511
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.011 0.0463 1
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.001 0.0047
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.2032 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0072 0.0274 0.7544
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.1061 0.7225
Schistosoma mansoni regulator of G protein signaling 0.0019 0.001 0.0047
Onchocerca volvulus 0.0233 0.1072 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0358
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.0054 0.0185 0.0842
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0188 0.0851 0.0851
Trypanosoma brucei hypothetical protein 0.011 0.0463 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.001 0.0047
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0157 0.4317
Echinococcus granulosus axis inhibition protein axin 0.0019 0.001 0.0047
Echinococcus granulosus expressed protein 0.0367 0.1738 0.7918
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0107 0.2957
Brugia malayi Intermediate filament tail domain containing protein 0.0084 0.0332 0.3125
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.001 0.0097
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0062 0.0285
Leishmania major NAD synthase, putative 0.009 0.0363 0.7851
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.001 0.0097
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.009 0.0363 0.1655
Echinococcus granulosus lamin 0.0084 0.0332 0.1511
Loa Loa (eye worm) hypothetical protein 0.0039 0.0109 0.0681
Plasmodium vivax SET domain protein, putative 0.0029 0.0062 0.1719
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0197 0.0197
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.001 0.0047
Schistosoma mansoni lamin 0.0084 0.0332 0.1511
Brugia malayi hypothetical protein 0.012 0.0511 0.4813
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.0525 0.3323
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.001 0.0047
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.001 0.0097
Echinococcus multilocularis dihydrofolate reductase 0.0188 0.0851 0.3878
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.011 0.0463 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0178 0.1152
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0109 0.235
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0045 0.0139 0.0885
Loa Loa (eye worm) hypothetical protein 0.004 0.0116 0.0726
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.0642 0.0642
Brugia malayi Pre-SET motif family protein 0.0205 0.0932 0.8786
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0072 0.0274 0.5923
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.001 0.0074
Echinococcus multilocularis GMP synthase (glutamine hydrolyzing) 0.0036 0.0095 0.0434
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.0109 0.0776
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0109 0.0708
Treponema pallidum fructose-bisphosphate aldolase 0.0299 0.14 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.001 0.0047
Onchocerca volvulus 0.0084 0.0332 0.2665
Trichomonas vaginalis set domain proteins, putative 0.0233 0.1072 0.7658
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.001 0.0074
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0157 0.339
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Loa Loa (eye worm) acetyltransferase 0.0142 0.0624 0.4219
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.001 0.0047
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0109 0.0495
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0197 0.0197
Echinococcus multilocularis expressed protein 0.0367 0.1738 0.7918
Echinococcus granulosus lamin dm0 0.0084 0.0332 0.1511
Entamoeba histolytica NAD synthetase, putative 0.009 0.0363 0.2539
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.001 0.0047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0459 0.2195 1
Plasmodium vivax glutathione reductase, putative 0.0048 0.0157 0.4317
Brugia malayi NC domain containing protein 0.004 0.0116 0.1092
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.14 1
Leishmania major GMP synthase, putative,glutamine amidotransferase, putative 0.0036 0.0095 0.206
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0107 0.0698
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.0624 0.2843
Mycobacterium ulcerans GMP synthase 0.0036 0.0095 0.0095
Toxoplasma gondii thioredoxin reductase 0.0048 0.0157 0.4317
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0197 0.0197
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.001 0.0047
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0125 0.3434
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.001 0.0047
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0459 0.2195 1
Schistosoma mansoni axis inhibition protein axin 0.0019 0.001 0.0047
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.001 0.0047
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.004 0.0117 0.0533
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.001 0.0047
Trypanosoma brucei NAD+ synthase, putative 0.009 0.0363 0.7851
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.001 0.0047
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.011 0.0463 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.0157 0.1008
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.011 0.0463 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0107 0.0767
Schistosoma mansoni dihydrofolate reductase 0.0188 0.0851 0.3878
Toxoplasma gondii hypothetical protein 0.004 0.0116 0.319
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.001 0.0097
Giardia lamblia Fructose-bisphosphate aldolase 0.0299 0.14 1
Trichomonas vaginalis nh(3)-dependent NAD(+) synthetase, putative 0.009 0.0363 0.2594
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0125 0.0891
Plasmodium vivax GMP synthetase, putative 0.0036 0.0095 0.2624
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0109 0.2993
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.0464 0.0464
Schistosoma mansoni intermediate filament proteins 0.0084 0.0332 0.1511
Treponema pallidum NAD synthetase 0.009 0.0363 0.2594
Brugia malayi follicle stimulating hormone receptor 0.0231 0.1061 1
Brugia malayi GMP synthase 0.0036 0.0095 0.0899
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0109 0.235
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0109 0.1025
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.001 0.0047
Plasmodium vivax glutamine-dependent NAD(+) synthetase, putative 0.009 0.0363 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0157 0.0157
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.001 0.0047
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0188 0.0851 0.0851
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.0525 0.0525
Chlamydia trachomatis dihydrofolate reductase 0.0188 0.0851 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.001 0.0047
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.001 0.0047
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.011 0.0463 1
Trypanosoma cruzi NAD+ synthase, putative 0.009 0.0363 0.7851
Schistosoma mansoni regulator of G protein signaling 0.0019 0.001 0.0047
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.001 0.0097
Loa Loa (eye worm) hypothetical protein 0.0312 0.1464 1
Schistosoma mansoni regulator of G protein signaling 0.0019 0.001 0.0047
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.011 0.0463 1
Brugia malayi Thioredoxin reductase 0.0048 0.0157 0.1478
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.14 1
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.0624 0.5881
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0072 0.0274 0.5923
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0197 0.0896
Echinococcus granulosus dihydrofolate reductase 0.0188 0.0851 0.3878
Brugia malayi hypothetical protein 0.0019 0.001 0.0097
Plasmodium falciparum glutathione reductase 0.0048 0.0157 0.4317
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0072 0.0274 0.7544
Mycobacterium tuberculosis Probable reductase 0.011 0.0464 0.0464
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.011 0.0463 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0109 0.2993
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0109 0.0776
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.0464 0.2071
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0062 0.0285
Toxoplasma gondii bifunctional GMP synthase/glutamine amidotransferase protein 0.0036 0.0095 0.2624
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.001 0.0047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Plasmodium falciparum glutamine-dependent NAD(+) synthetase, putative 0.009 0.0363 1
Trypanosoma brucei calpain-like protein, putative 0.011 0.0463 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0188 0.0851 1
Schistosoma mansoni ap endonuclease 0.0039 0.0109 0.0495
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0197 0.1854
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0062 0.0285
Brugia malayi dihydrofolate reductase family protein 0.0188 0.0851 0.8023
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.0642 0.0642
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0072 0.0274 0.7544
Trypanosoma cruzi calpain cysteine peptidase, putative 0.011 0.0463 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0197 0.0896
Echinococcus multilocularis musashi 0.0084 0.0332 0.1511
Leishmania major trypanothione reductase 0.0048 0.0157 0.339
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.14 1
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.1912 0.8713
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.0932 0.6339
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0109 1
Giardia lamblia NH3-dependent NAD+ synthetase 0.009 0.0363 0.2594
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.001 0.0047
Trypanosoma cruzi NAD+ synthase, putative 0.009 0.0363 0.7851
Brugia malayi cytoplasmic intermediate filament protein 0.0045 0.0139 0.131
Brugia malayi Dihydrofolate reductase 0.0188 0.0851 0.8023
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.011 0.0463 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.001 0.0074
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.0604 0.2752
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.001 0.0047
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.001 0.0047
Schistosoma mansoni GMP synthetase 0.0036 0.0095 0.0434
Trypanosoma brucei calpain, putative 0.011 0.0463 1
Toxoplasma gondii exonuclease III APE 0.0039 0.0109 0.2993
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0125 0.3434
Plasmodium falciparum GMP synthase [glutamine-hydrolyzing] 0.0036 0.0095 0.2624
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.0464 0.0464
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.001 0.0074
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0125 0.3434
Loa Loa (eye worm) intermediate filament protein 0.0084 0.0332 0.2209
Echinococcus granulosus cytoplasmic intermediate filament protein 0.004 0.0117 0.0533
Echinococcus granulosus axis inhibition protein axin 0.0019 0.001 0.0047
Trypanosoma brucei GMP synthase [glutamine-hydrolysing] 0.0036 0.0095 0.206

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 6 % Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat frontal cortex membrane at 10 nM ChEMBL. 18361484
Activity (binding) = 6 % Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat frontal cortex membrane at 10 nM ChEMBL. 18361484
Activity (binding) = 33 % Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat frontal cortex membrane at 0.1 uM ChEMBL. 18361484
Activity (binding) = 33 % 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
Ki (binding) = 2.55 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells ChEMBL. 18361484
Ki (binding) = 2.55 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells ChEMBL. 18361484
MED (functional) Anxiolytic activity in ip dosed NMRI mouse assessed as behavioral activity for 5 mins by light dark assay 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
MED (functional) > 20 mg kg-1 Anxiolytic activity in ip dosed Wistar rat assessed as number of punished licks for 5 mins by conflict drinking test 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

1 literature reference was collected for this gene.

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