Detailed information for compound 515800

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.589 | Formula: C29H31N5O2
  • H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1nc2ccccc2c(=O)n1c1ccccc1)CCN1CCN(CC1)c1ccc(cc1)C
  • InChi: 1S/C29H31N5O2/c1-22-11-13-23(14-12-22)33-19-17-32(18-20-33)16-15-28(35)30-21-27-31-26-10-6-5-9-25(26)29(36)34(27)24-7-3-2-4-8-24/h2-14H,15-21H2,1H3,(H,30,35)
  • InChiKey: DXLPXQOMFQCHQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
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
Echinococcus multilocularis 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
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0101 0.0101
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0027 0.0027
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0419 0.1009
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0563 0.7967
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0305 0.4123
Onchocerca volvulus 0.0088 0.1811 0.3347
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0101 0.0101
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0101 0.0101
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0279 0.3743
Loa Loa (eye worm) hypothetical protein 0.0034 0.0617 0.1303
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0101 0.0213
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0101 0.0213
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0027 0.0027
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0046 0.0046
Toxoplasma gondii exonuclease III APE 0.002 0.0305 0.4123
Loa Loa (eye worm) hypothetical protein 0.0025 0.0419 0.0885
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0027 0.0057
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0101 0.0213
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0101 0.0186
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0101 0.0213
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0419 0.1009
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0101 0.0101
Onchocerca volvulus 0.0011 0.0101 0.0186
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0326
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0305 0.0515
Loa Loa (eye worm) hypothetical protein 0.0007 0.0027 0.0057
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0305 0.0305
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0101 0.0101
Entamoeba histolytica CAAX amino terminal protease family 0.0038 0.07 0.1731
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0101 0.0101
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0419 0.5991
Brugia malayi MH1 domain containing protein 0.0008 0.0046 0.0097
Echinococcus granulosus smad 0.0008 0.0046 0.0046
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0101 0.0186
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0589
Brugia malayi nuclear receptor NHR-88 0.0011 0.0101 0.0213
Toxoplasma gondii hypothetical protein 0.0038 0.07 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0101 0.0101
Brugia malayi steroid hormone receptor 0.0011 0.0101 0.0213
Entamoeba histolytica CAAX prenyl protease family 0.0183 0.3914 1
Schistosoma mansoni hypothetical protein 0.0016 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0007 0.0027 0.0057
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0183 0.3914 0.722
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0213 0.0449
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0027 0.0326
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0589
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0101 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0101 0.0213
Mycobacterium ulcerans integral membrane protein 0.0038 0.07 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0305 0.0714
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0213 0.0449
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0589
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0101 0.0213
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0101 0.0101
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0101 0.0101
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0101 0.0101
Plasmodium vivax SET domain protein, putative 0.0032 0.0563 0.7967
Onchocerca volvulus 0.0007 0.0027 0.005
Loa Loa (eye worm) hypothetical protein 0.0094 0.1947 0.411
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0305 0.0714
Echinococcus multilocularis CAAX prenyl protease 2 0.0183 0.3914 0.3914
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0305 0.0714
Loa Loa (eye worm) hypothetical protein 0.005 0.0966 0.2039
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0589
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0563 0.0563
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Brugia malayi ecdysteroid receptor 0.0011 0.0101 0.0213
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0101 0.0101
Giardia lamblia Hypothetical protein 0.0183 0.3914 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0101 0.0213
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0279 0.3743
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0101 0.0101
Echinococcus multilocularis smad 0.0008 0.0046 0.0046
Brugia malayi MH2 domain containing protein 0.0008 0.0046 0.0097
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0007 0.0027 0.0389
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0256 0.3621
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0101 0.0101
Onchocerca volvulus 0.0032 0.0563 0.1041
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0305 0.0643
Loa Loa (eye worm) hypothetical protein 0.0025 0.0419 0.0885
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0563 0.0563
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0419 0.5991
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0016 0.0213 0.0449
Treponema pallidum hypothetical protein 0.0038 0.07 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.2532 0.5346
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Brugia malayi CAAX amino terminal protease family protein 0.0183 0.3914 0.8262
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0101 0.0213
Echinococcus multilocularis GPCR, family 2 0.0016 0.0213 0.0213
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0326
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0183 0.3914 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0305 0.0515
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0007 0.0027 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0101 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0101 0.0213
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0617 0.1303
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0046 0.0097
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0094 0.1947 0.1947
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0101 0.0101
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0101 0.0101
Brugia malayi MH1 domain containing protein 0.0008 0.0046 0.0097
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0101 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0101 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0101 0.0213
Schistosoma mansoni hypothetical protein 0.0016 0.0213 0.0213
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0213 0.0213
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0046 0.0046
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0419 1
Brugia malayi Trypsin family protein 0.0094 0.1947 0.411
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0419 0.5991
Toxoplasma gondii hypothetical protein 0.0038 0.07 1
Schistosoma mansoni smad 0.0008 0.0046 0.0046
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0027 0.0027
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0046 0.0046
Brugia malayi MH2 domain containing protein 0.012 0.2532 0.5346
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Schistosoma mansoni biogenic amine (5HT) receptor 0.0457 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0101 0.0213
Loa Loa (eye worm) hypothetical protein 0.0019 0.0279 0.0589
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0419 0.5991
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0279 0.3987
Brugia malayi Smad1 0.0008 0.0046 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0101 0.0213
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0419 0.1009
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0038 0.07 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0213 0.0449
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0101 0.0101
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0046 0.0097
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0326
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0027 0.0326
Onchocerca volvulus 0.0025 0.0419 0.0775
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0419 0.5991
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0101 0.0213
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0256 0.3621
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0256 0.3621
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0101 0.0213
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0101 0.0101
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0213 0.0213
Echinococcus granulosus CAAX prenyl protease 2 0.0183 0.3914 0.3914
Plasmodium falciparum protease, putative 0.0038 0.07 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0305 0.0643
Mycobacterium ulcerans acetyl-CoA synthetase 0.0007 0.0027 0.0389
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0101 0.0101
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0419 0.1009
Schistosoma mansoni hypothetical protein 0.0016 0.0213 0.0213
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Chlamydia trachomatis hypothetical protein 0.0038 0.07 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0305 0.0714
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0419 0.5991
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0101 0.0213
Schistosoma mansoni ap endonuclease 0.002 0.0305 0.0305
Schistosoma mansoni smad1 5 8 and 0.0008 0.0046 0.0046
Schistosoma mansoni smad1 5 8 and 0.0008 0.0046 0.0046
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0034 0.0617 0.0617
Brugia malayi nuclear hormone receptor 0.0011 0.0101 0.0213
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0183 0.3914 0.3914
Trypanosoma brucei CAAX amino terminal protease, putative 0.0183 0.3914 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0046 0.0046
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0563 0.0563
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0419 0.0885
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0027 0.0326
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0966 0.2039
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0027 0.0326
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0305 0.4123
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0007 0.0027 0.0389
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0101 0.0186
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0419 0.0885
Schistosoma mansoni ap endonuclease 0.002 0.0305 0.0305
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0027 0.0326
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0305 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0256 0.3621
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0101 0.0101
Schistosoma mansoni Smad4 0.0008 0.0046 0.0046
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0419 0.1009
Brugia malayi Pre-SET motif family protein 0.0032 0.0563 0.1189
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0419 0.1009
Loa Loa (eye worm) hypothetical protein 0.0094 0.1947 0.411
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0101 0.0101
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0007 0.0027 0.0389
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0027 0.0057
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0101 0.0213
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0101 0.0213
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0419 0.5991
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0213 0.0213
Echinococcus multilocularis Smad4 0.0008 0.0046 0.0046
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0419 0.5965
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0305 0.4315
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0419 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0027 0.0326
Schistosoma mansoni coup transcription factor 0.0011 0.0101 0.0101
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0027 0.0057
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0457 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.3914 0.8262
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0027 0.0057
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0563 0.0563
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0007 0.0027 0.0389
Onchocerca volvulus 0.025 0.541 1
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0183 0.3914 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0101 0.0101
Echinococcus granulosus GPCR family 2 0.0016 0.0213 0.0213
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0305 0.0714
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0027 0.0326
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0183 0.3914 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0027 0.0057
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0027 0.0057
Mycobacterium ulcerans hypothetical protein 0.0038 0.07 1
Brugia malayi Pre-SET motif family protein 0.022 0.4737 1
Entamoeba histolytica CAAX amino terminal protease family 0.0038 0.07 0.1731
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0419 0.0885
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0094 0.1947 0.1947
Plasmodium vivax protease, putative 0.0038 0.07 1
Trichomonas vaginalis set domain proteins, putative 0.025 0.541 1
Mycobacterium tuberculosis Probable integral membrane protein 0.0038 0.07 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0101 0.0101
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0966 0.2039
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0419 0.5965
Loa Loa (eye worm) hypothetical protein 0.0025 0.0419 0.0885
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Onchocerca volvulus 0.0007 0.0027 0.005
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0101 0.0213
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0007 0.0027 0.0389
Onchocerca volvulus 0.0094 0.1947 0.3598
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0027 0.0057
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0027 0.0057
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0101 0.0101
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0101 0.0101
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0007 0.0027 0.0389
Schistosoma mansoni hypothetical protein 0.0016 0.0213 0.0213
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0101 0.0213
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0279 0.3947
Echinococcus granulosus Smad4 0.0008 0.0046 0.0046
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0007 0.0027 0.0389
Onchocerca volvulus 0.0007 0.0027 0.005
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.4737 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0326
Loa Loa (eye worm) hypothetical protein 0.0032 0.0563 0.1189
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0563 0.0563
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0563 0.0563
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0011 0.0101 0.0213
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0183 0.3914 0.3914
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0046 0.0046
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.07 1
Loa Loa (eye worm) oxidoreductase 0.0007 0.0027 0.0057
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0101 0.0101
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0537 0.0537
Mycobacterium ulcerans hypothetical protein 0.0025 0.0419 0.5991
Toxoplasma gondii CAAX amino terminal protease family protein 0.0038 0.07 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0038 0.07 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.2532 0.5346
Loa Loa (eye worm) Smad1 0.0008 0.0046 0.0097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0101 0.0213
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0563 0.0563
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0101 0.0213
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0966 0.2039
Brugia malayi MH2 domain containing protein 0.0008 0.0046 0.0097
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0305 0.0305
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0101 0.0101
Onchocerca volvulus 0.0007 0.0027 0.005
Schistosoma mansoni smad1 5 8 and 0.0008 0.0046 0.0046
Mycobacterium ulcerans hypothetical protein 0.0038 0.07 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0007 0.0027 0.0389
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0305 0.4352

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.137 Inhibition of 5HT7 receptor by radioligand binding assay ChEMBL. 19013691
IC50 (binding) = 730 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor ChEMBL. 18083580
IC50 (binding) = 730 nM Displacement of [3H]LSD from human recombinant 5HT7 receptor ChEMBL. 18083580

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.

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