Detailed information for compound 1070808

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 230.306 | Formula: C14H18N2O
  • H donors: 1 H acceptors: 0 LogP: 2.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1ccccc1C(OC1=NCCN1)C
  • InChi: 1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)11(2)17-14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
  • InChiKey: MCAGSCISRRGDGQ-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 adrenoceptor alpha 2A Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2C Starlite/ChEMBL References
Homo sapiens adrenoceptor alpha 2B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0079
Echinococcus granulosus histone lysine methyltransferase setb 0.0068 0.0614 0.0543
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0032 0.0107 0.0293
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0037 0.0168 0.0077
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.1173 0.323
Entamoeba histolytica hypothetical protein 0.004 0.0211 0.0498
Schistosoma mansoni hypothetical protein 0.0074 0.069 0.1261
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0226 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0129 0.1475 0.1396
Entamoeba histolytica hypothetical protein 0.004 0.0211 0.0498
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.013 0.0039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0042 0.1847
Schistosoma mansoni hypothetical protein 0.0045 0.0278 0.0393
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0129 0.1475 0.1411
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0129 0.0356
Echinococcus multilocularis FTZ F1 alpha 0.0032 0.0107 0.0015
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.0187 0.0515
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0129 0.0054
Schistosoma mansoni hypothetical protein 0.0366 0.4838 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.0592 0.0521
Leishmania major basic transcription factor 3a, putative 0.0037 0.0168 0.7438
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0107 0.0031
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0293
Schistosoma mansoni steroid hormone receptor ad4bp 0.0032 0.0107 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0107 0.0293
Schistosoma mansoni inositol monophosphatase 0.0041 0.0226 0.0283
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0079
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0042 0.1847
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 0.0952 0.1812
Onchocerca volvulus 0.025 0.3184 1
Loa Loa (eye worm) PHD-finger family protein 0.0045 0.0278 0.0766
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0395 0.0322
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0592 0.163
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0329 0.0906
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.012 0.1341 0.3692
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.1173 0.323
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0499 0.1373
Onchocerca volvulus Protein ultraspiracle homolog 0.0032 0.0107 0.0335
Trypanosoma brucei ISWI complex protein 0.0033 0.0115 0.477
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.013 0.5753
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0168 0.6857
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0107 0.0031
Loa Loa (eye worm) hypothetical protein 0.0119 0.1333 0.367
Brugia malayi Inositol-1 0.0041 0.0226 0.0622
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0403 0.1111
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0395 0.0639
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0499 0.0857
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0032 0.0107 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0032 0.0107 0.0293
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0032 0.0107 0.0031
Brugia malayi Pre-SET motif family protein 0.0219 0.2754 0.7583
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0032 0.0107 0.0031
Onchocerca volvulus 0.0107 0.1161 0.3648
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.1429 0.3934
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0226 0.0142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0329 0.05
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0168 0.6857
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0068 0.0614 0.0527
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.2754 0.7583
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0329 0.05
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0168 0.728
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.0226 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0032 0.0107 0.0031
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.013 0.0039
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.0226 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0592 0.1054
Loa Loa (eye worm) hypothetical protein 0.0281 0.3633 1
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0395 0.0639
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0129 0.0038
Echinococcus granulosus GPCR family 2 0.0034 0.0129 0.0054
Loa Loa (eye worm) hypothetical protein 0.0068 0.0614 0.1691
Schistosoma mansoni hypothetical protein 0.0321 0.42 0.8656
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Echinococcus granulosus ecdysone induced protein 78C 0.0032 0.0107 0.0031
Trypanosoma cruzi ISWI complex protein 0.0033 0.0115 0.3957
Echinococcus multilocularis ecdysone induced protein 78C 0.0032 0.0107 0.0015
Echinococcus multilocularis zinc finger protein 0.0042 0.0246 0.0155
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.013 0.549
Echinococcus granulosus transcription factor btf3 0.0037 0.0168 0.0093
Echinococcus granulosus fetal alzheimer antigen falz 0.0049 0.0337 0.0263
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0329 0.0256
Brugia malayi mbt repeat family protein 0.0053 0.0395 0.1088
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0107 0.0293
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0092 0.0952 0.262
Entamoeba histolytica transcription factor BTF3, putative 0.0037 0.0168 0.0397
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0032 0.0107 0.0293
Entamoeba histolytica hypothetical protein 0.004 0.0211 0.0498
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.013 0.7541
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0092 0.3693
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0032 0.0107 0.0031
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0395 0.1241
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0158 0.1888 1
Schistosoma mansoni transcription factor btf3 0.0037 0.0168 0.0161
Schistosoma mansoni retinoic acid receptor RXR 0.0032 0.0107 0.0031
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0211 0.0251
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.0107 0.0031
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.013 0.4789
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.1173 0.323
Brugia malayi ecdysteroid receptor 0.0032 0.0107 0.0293
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0032 0.0107 0.0015
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0013 0.007
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0293
Brugia malayi RNA binding protein 0.0067 0.0592 0.163
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0049 0.0337 0.0516
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0168 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.013 0.549
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Brugia malayi beta-NAC-like protein 0.0037 0.0168 0.0463
Loa Loa (eye worm) hypothetical protein 0.0053 0.0395 0.1088
Loa Loa (eye worm) hypothetical protein 0.0092 0.0953 0.2623
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0013 0.0582
Brugia malayi Bromodomain containing protein 0.0083 0.0819 0.2256
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.0226 0.0142
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Treponema pallidum fructose-bisphosphate aldolase 0.0324 0.4236 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0032 0.0107 0.0293
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0499 0.0427
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0079
Brugia malayi PHD-finger family protein 0.0054 0.0409 0.1127
Echinococcus granulosus geminin 0.0366 0.4838 0.4799
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0329 0.0906
Echinococcus granulosus zinc finger protein 0.0042 0.0246 0.0172
Echinococcus granulosus methyl CpG binding domain protein 2 0.0037 0.0168 0.0094
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0395 0.0639
Onchocerca volvulus 0.0053 0.0403 0.1267
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0226 1
Leishmania major hypothetical protein, conserved 0.0033 0.0115 0.5074
Echinococcus multilocularis thyroid hormone receptor alpha 0.0032 0.0107 0.0015
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0129 0.0054
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.0226 0.0135
Schistosoma mansoni RAR-like nuclear receptor 0.0032 0.0107 0.0031
Echinococcus granulosus survival motor neuron protein 1 0.0262 0.336 0.331
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0168 0.0162
Echinococcus multilocularis geminin 0.0366 0.4838 0.4791
Loa Loa (eye worm) MBCTL1 0.006 0.0499 0.1373
Schistosoma mansoni survival motor neuron protein 0.0053 0.0403 0.0657
Trichomonas vaginalis set domain proteins, putative 0.025 0.3184 0.7413
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.013 0.0039
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.013 0.549
Schistosoma mansoni zinc finger protein 0.0033 0.0115 0.0048
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.013 0.0055
Entamoeba histolytica hypothetical protein 0.004 0.0211 0.0498
Mycobacterium leprae conserved hypothetical protein 0.0026 0.0013 0.007
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0293
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0119 0.1333 0.367
Brugia malayi steroid hormone receptor 0.0032 0.0107 0.0293
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 0.0952 0.0868
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0032 0.0107 0.0031
Schistosoma mansoni hypothetical protein 0.0053 0.0403 0.0657
Echinococcus multilocularis transcription factor btf3 0.0037 0.0168 0.0077
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0107 0.0031
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0592 0.163
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0158 0.1888 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.0165 0.0875
Echinococcus multilocularis survival motor neuron protein 1 0.0262 0.336 0.3298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.0614 0.1101
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.013 0.4789
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0079
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.4236 1
Brugia malayi hypothetical protein 0.004 0.0211 0.0581
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0592 0.1054
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Onchocerca volvulus Bile acid receptor homolog 0.0032 0.0107 0.0335
Brugia malayi nuclear hormone receptor 0.0032 0.0107 0.0293
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0049 0.0337 0.0247
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0032 0.0107 0.0293
Schistosoma mansoni cellular tumor antigen P53 0.0107 0.1161 0.2253
Schistosoma mansoni hypothetical protein 0.004 0.0211 0.0251
Brugia malayi isocitrate dehydrogenase 0.0034 0.013 0.0358
Onchocerca volvulus 0.0053 0.0395 0.1241
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0078 0.0747 0.0661
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0293
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0395 0.0306
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0129 0.0356
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0032 0.0107 0.0293
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0499 0.0427
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0032 0.0107 0.0031
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0208 0.2598 0.2542
Loa Loa (eye worm) hypothetical protein 0.0074 0.069 0.19
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0592 0.163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0032 0.0107 0.0293
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0211 0.0137
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0032 0.0107 0.0015
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.0226 0.0152
Echinococcus multilocularis GPCR, family 2 0.0034 0.0129 0.0038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0329 0.024
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.1429 0.3934
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0499 0.0411
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.0226 0.0533
Echinococcus multilocularis transcription factor eb 0.012 0.1341 0.1261
Plasmodium vivax SET domain protein, putative 0.0031 0.0092 0.5073
Schistosoma mansoni methyl-cpg binding protein mbd 0.0037 0.0168 0.0162
Echinococcus granulosus FTZ F1 alpha 0.0032 0.0107 0.0031
Brugia malayi Pre-SET motif family protein 0.0031 0.0092 0.0253
Brugia malayi nuclear receptor NHR-88 0.0032 0.0107 0.0293
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0107 0.0293
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0032 0.0107 0.0031
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0226 1
Schistosoma mansoni hypothetical protein 0.0033 0.0115 0.0048
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0032 0.0107 0.0293
Giardia lamblia Fructose-bisphosphate aldolase 0.0324 0.4236 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0078 0.0747 0.0677
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0395 0.0322
Loa Loa (eye worm) hypothetical protein 0.006 0.0499 0.1373
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0324 0.4236 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0032 0.0107 0.0031
Brugia malayi Bromodomain containing protein 0.0162 0.1944 0.5352
Trypanosoma cruzi ISWI complex protein 0.0033 0.0115 0.3957
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.1813 0.4991
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0293
Brugia malayi TAR-binding protein 0.0067 0.0592 0.163
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0168 0.728
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.013 0.0358
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0032 0.0107 0.0293
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 0.0952 0.0883
Entamoeba histolytica hypothetical protein 0.0026 0.0013 0.0031
Schistosoma mansoni coup transcription factor 0.0032 0.0107 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0032 0.0107 0.0293
Leishmania major hypothetical protein, conserved 0.0028 0.0042 0.1849
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0107 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0032 0.0107 0.0293
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.069 0.19
Loa Loa (eye worm) hypothetical protein 0.0108 0.1173 0.323
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0158 0.1888 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0395 0.0306
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0068 0.0614 0.1101
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0592 0.0505
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0032 0.0107 0.0293
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0592 0.1054
Onchocerca volvulus 0.0031 0.0092 0.0288
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0129 0.0038
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0592 0.1054
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.013 0.0039
Brugia malayi photoreceptor-specific nuclear receptor 0.0281 0.3633 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.0226 0.1197
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0032 0.0107 0.0335
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0129 0.0356
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0042 0.1345
Schistosoma mansoni bromodomain containing protein 0.0137 0.1585 0.3146
Brugia malayi hypothetical protein 0.0028 0.0042 0.0115
Loa Loa (eye worm) hypothetical protein 0.0088 0.0894 0.2462
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.0226 0.0142
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0168 0.0463
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0592 0.1054
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0013 0.007
Onchocerca volvulus 0.0032 0.0107 0.0335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0329 0.05
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0329 0.0256
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0324 0.4236 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1161 0.3197
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0293
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0032 0.0107 0.0031
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.0107 0.0293
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0013 0.007
Brugia malayi hypothetical protein 0.0262 0.336 0.925
Schistosoma mansoni inositol monophosphatase 0.0041 0.0226 0.0283
Loa Loa (eye worm) hypothetical protein 0.0028 0.0042 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0032 0.0107 0.0293
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.013 0.0081
Schistosoma mansoni zinc finger protein 0.0042 0.0246 0.0324
Brugia malayi Isocitrate dehydrogenase 0.0034 0.013 0.0358
Entamoeba histolytica hypothetical protein 0.0037 0.0168 0.0397
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0499 0.0411
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.013 0.7541
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0107 0.0015
Loa Loa (eye worm) steroid hormone receptor 0.0032 0.0107 0.0293
Loa Loa (eye worm) hypothetical protein 0.0032 0.0107 0.0293
Brugia malayi MH2 domain containing protein 0.0126 0.1429 0.3934
Onchocerca volvulus 0.0092 0.0952 0.2989
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.0226 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0042 0.1345
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0032 0.0107 0.0293
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0032 0.0107 0.0293
Schistosoma mansoni hypothetical protein 0.0366 0.4838 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0329 0.024
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0032 0.0107 0.0031
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0013 0.5
Schistosoma mansoni thyroid hormone receptor 0.0032 0.0107 0.0031
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0168 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0032 0.0107 0.0293
Loa Loa (eye worm) hypothetical protein 0.0034 0.0129 0.0356
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0395 0.1088
Loa Loa (eye worm) hypothetical protein 0.0262 0.336 0.925
Loa Loa (eye worm) inositol-1 0.0041 0.0226 0.0622
Loa Loa (eye worm) RNA binding protein 0.0067 0.0592 0.163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0032 0.0107 0.0293
Brugia malayi Steroid receptor seven-up type 2 0.0032 0.0107 0.0293
Loa Loa (eye worm) hypothetical protein 0.0083 0.0822 0.2262
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.013 0.0688
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0042 0.1847
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0208 0.2598 0.253
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.013 0.549
Brugia malayi mbt repeat family protein 0.0053 0.0395 0.1088
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0211 0.012
Echinococcus granulosus transcription factor eb 0.012 0.1341 0.1275
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.013 0.0039
Loa Loa (eye worm) hypothetical protein 0.0092 0.0952 0.262
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.0165 0.0875
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0107 0.0015
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0032 0.0107 0.0015

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 100 % Analgesic activity in morphine-induced CD1 mouse assessed as maximum possible effect at 0.05 mg/kg, ip treated 15 mins before morphine challenge by radiant tail-flick test ChEMBL. 19886609
EC50 (functional) = 6 Agonist activity at human alpha2B adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 19886609
EC50 (functional) = 7.3 Agonist activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 19886609
Intrinsic activity (binding) = 0.9 Intrinsic activity at human Alpha-2C adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry relative to noradrenaline ChEMBL. 19886609
Ki (binding) = 6.47 Displacement of [3H]RX821002 from human alpha2B adrenoceptor expressed in CHO cell membrane after 30 mins by liquid scintillation counting ChEMBL. 19886609
Ki (binding) = 7.07 Displacement of [3H]RX821002 from human Alpha-2C adrenoceptor expressed in CHO cell membrane after 30 mins by liquid scintillation counting ChEMBL. 19886609
Ki (binding) = 7.24 Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cell membrane after 30 mins by liquid scintillation counting ChEMBL. 19886609
pKb (functional) = 7.4 Antagonist activity at human alpha2A adrenoceptor expressed in CHO cells assessed as extracellular acidification by cytosensor microphysiometry ChEMBL. 19886609

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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