Detailed information for compound 1444956

Basic information

Technical information
  • TDR Targets ID: 1444956
  • Name: phenyl 2-pyridin-2-yl-2,7-diazaspiro[3.5]nona ne-7-carboxylate
  • MW: 323.389 | Formula: C19H21N3O2
  • H donors: 0 H acceptors: 2 LogP: 3.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC2(CC1)CN(C2)c1ccccn1)Oc1ccccc1
  • InChi: 1S/C19H21N3O2/c23-18(24-16-6-2-1-3-7-16)21-12-9-19(10-13-21)14-22(15-19)17-8-4-5-11-20-17/h1-8,11H,9-10,12-15H2
  • InChiKey: UDJSNPNOMNABSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • phenyl 2-(2-pyridyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
  • 2-(2-pyridyl)-2,7-diazaspiro[3.5]nonane-7-carboxylic acid phenyl ester
  • NCGC00011979
  • PCOP-676685

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni inositol monophosphatase 0.0045 0.0649 0.0971
Brugia malayi hypothetical protein 0.0009 0.0029 0.0003
Brugia malayi nuclear hormone receptor 0.0076 0.1184 0.1675
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.49 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0161 0.2644 0.3787
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0137 0.0192
Schistosoma mansoni nuclear hormone receptor 0.0076 0.1184 0.1774
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0894 0.1338
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0029 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0161 0.2644 0.3959
Schistosoma mansoni ferritin light chain 0.0009 0.0034 0.0051
Schistosoma mansoni hypothetical protein 0.0016 0.0161 0.0241
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0161 0.0235
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.2644 0.3959
Loa Loa (eye worm) hypothetical protein 0.0085 0.1341 0.234
Brugia malayi conserved hypotetical protein 0.0076 0.1184 0.1675
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0587 0.0945
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1
Brugia malayi nuclear receptor NHR-67 0.0076 0.1184 0.1675
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0742 0.1269
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0161 0.2644 0.4666
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0587 0.0945
Echinococcus granulosus geminin 0.0352 0.5934 0.8886
Treponema pallidum fructose-bisphosphate aldolase 0.0588 1 1
Schistosoma mansoni dishevelled 0.0009 0.0029 0.0044
Echinococcus granulosus cpg binding protein 0.0029 0.0386 0.0578
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0359 0.0588
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0649 0.1074
Echinococcus granulosus thyroid hormone receptor alpha 0.0076 0.1184 0.1774
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0076 0.1184 0.1774
Schistosoma mansoni hypothetical protein 0.0132 0.2148 0.3216
Loa Loa (eye worm) hypothetical protein 0.0085 0.1341 0.234
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.2257 0.445
Brugia malayi Cytochrome P450 family protein 0.0015 0.0137 0.0159
Loa Loa (eye worm) steroid hormone receptor 0.0161 0.2644 0.4666
Brugia malayi orphan nuclear receptor NR2E1 0.0076 0.1184 0.1675
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Loa Loa (eye worm) hypothetical protein 0.0161 0.2644 0.4666
Schistosoma mansoni hypothetical protein 0.0035 0.0485 0.0727
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0235
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0568 0.1115
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0076 0.1184 0.1774
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0029 0.0044
Brugia malayi Nuclear hormone receptor-like 1 0.0334 0.5633 0.8114
Brugia malayi nuclear receptor NHR-88 0.0076 0.1184 0.1675
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1
Echinococcus granulosus FTZ F1 alpha 0.0161 0.2644 0.3959
Mycobacterium ulcerans hypothetical protein 0.0154 0.2525 0.52
Brugia malayi ecdysteroid receptor 0.0321 0.5404 0.7783
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0649 0.0617
Brugia malayi Nuclear hormone receptor-like 1 0.041 0.6936 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0587 0.0945
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0485 0.0663
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0649 0.0617
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0076 0.1184 0.2149
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.2257 0.445
Loa Loa (eye worm) hypothetical protein 0.0161 0.2644 0.4666
Schistosoma mansoni RAR-like nuclear receptor 0.0161 0.2644 0.3959
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0076 0.1184 0.1774
Schistosoma mansoni hypothetical protein 0.0395 0.6679 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0588 1 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0029 0.0003
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0161 0.2644 0.3787
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0649 0.1074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.2644 0.3959
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0085 0.1341 0.2008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Brugia malayi Nuclear hormone receptor E75 0.0076 0.1184 0.1675
Brugia malayi steroid hormone receptor 0.0161 0.2644 0.3787
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0029 0.0044
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0029 0.0044
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0029 0.0000011308
Echinococcus granulosus expressed protein 0.0009 0.0034 0.0051
Loa Loa (eye worm) DR-78 0.0076 0.1184 0.2062
Brugia malayi Inositol-1 0.0045 0.0649 0.0899
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0161 0.2644 0.3959
Loa Loa (eye worm) hypothetical protein 0.0321 0.5404 0.9592
Brugia malayi photoreceptor-specific nuclear receptor 0.0161 0.2644 0.3787
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0085 0.1341 0.2008
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0161 0.2644 0.3959
Brugia malayi N-terminal motif family protein 0.0174 0.2881 0.4131
Brugia malayi nuclear hormone receptor 0.0161 0.2644 0.3787
Loa Loa (eye worm) hypothetical protein 0.0085 0.1341 0.234
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0649 1
Schistosoma mansoni nuclear hormone receptor 0.0076 0.1184 0.1774
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0161 0.2644 0.3959
Echinococcus multilocularis expressed protein 0.0009 0.0034 0.0051
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0161 0.2644 0.3959
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0161 0.2644 0.4666
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0076 0.1184 0.1774
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0287 0.4824 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0649 0.1074
Brugia malayi hypothetical protein 0.0085 0.1341 0.1901
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.4692 0.8321
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0786 1
Loa Loa (eye worm) inositol-1 0.0045 0.0649 0.1106
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0161 0.0241
Brugia malayi nuclear hormone receptor family member nhr-6 0.0076 0.1184 0.1675
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.2644 0.3787
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0076 0.1184 0.1675
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0029 0.0044
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0029 0.0044
Onchocerca volvulus Bile acid receptor homolog 0.0321 0.5404 1
Schistosoma mansoni coup transcription factor 0.0161 0.2644 0.3959
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0174 0.2881 0.5306
Echinococcus granulosus Nuclear hormone receptor HR96 0.0076 0.1184 0.1774
Loa Loa (eye worm) hypothetical protein 0.0085 0.1341 0.234
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0161 0.2644 0.3959
Schistosoma mansoni nuclear receptor 0.0076 0.1184 0.1774
Schistosoma mansoni thyroid hormone receptor 0.0292 0.491 0.7352
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0085 0.1341 0.2008
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0076 0.1184 0.1774
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Schistosoma mansoni apoferritin-2 0.0009 0.0034 0.0051
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0649 0.0971
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0161 0.2644 0.3959
Echinococcus multilocularis geminin 0.0352 0.5934 0.8886
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0161 0.2644 0.3787
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0161 0.2644 0.3959
Schistosoma mansoni cpg binding protein 0.0029 0.0386 0.0578
Echinococcus multilocularis cpg binding protein 0.0029 0.0386 0.0578
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0765 0.1067
Schistosoma mansoni nuclear receptor 0.0076 0.1184 0.1774
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0029 0.0044
Loa Loa (eye worm) hypothetical protein 0.0161 0.2644 0.4666
Onchocerca volvulus 0.0076 0.1184 0.2149
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.2257 0.445
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0132 0.2148 0.3216
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.2644 0.3787
Schistosoma mansoni cpg binding protein 0.0028 0.0359 0.0537
Brugia malayi CXXC zinc finger family protein 0.0028 0.0359 0.048
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0161 0.0241
Onchocerca volvulus 0.0076 0.1184 0.2149
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0287 0.4824 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.2644 0.3787
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0076 0.1184 0.2062
Schistosoma mansoni nuclear receptor nhr-48 0.0076 0.1184 0.1774
Echinococcus multilocularis ecdysone induced protein 78C 0.0161 0.2644 0.3959
Loa Loa (eye worm) hypothetical protein 0.0085 0.1341 0.234
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0161 0.0241
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0085 0.1341 0.2008
Echinococcus granulosus dnaJ subfamily B 0.0395 0.6679 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.2644 0.4666
Echinococcus granulosus GPCR family 2 0.0016 0.0161 0.0241
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0029 0.0044
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0137 0.0192
Schistosoma mansoni dishevelled 0.0009 0.0029 0.0044
Echinococcus multilocularis ferritin 0.0009 0.0034 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0161 0.2644 0.4666
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0161 0.2644 0.3959
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.49 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0161 0.2644 0.3787
Loa Loa (eye worm) hypothetical protein 0.0161 0.2644 0.4666
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0161 0.2644 0.3959
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0161 0.2644 0.3787
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0029 0.0044
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0649 0.0971
Echinococcus granulosus ecdysone induced protein 78C 0.0161 0.2644 0.3959
Brugia malayi ecdysone receptor 0.0076 0.1184 0.1675
Schistosoma mansoni hypothetical protein 0.0352 0.5934 0.8886
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0076 0.1184 0.1774
Brugia malayi tailless protein 0.0076 0.1184 0.1675
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0137 0.0192
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0076 0.1184 0.1774
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0161 0.2644 0.3959
Brugia malayi Nuclear hormone receptor-like 1 0.0334 0.5633 0.8114
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0161 0.2644 0.3787
Loa Loa (eye worm) nuclear hormone receptor 0.0076 0.1184 0.2062
Schistosoma mansoni ferritin 0.0009 0.0034 0.0051
Schistosoma mansoni ferritin 0.0009 0.0034 0.0051
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0161 0.2644 0.3959
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0649 0.1074
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.49 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0649 0.0617
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.2525 0.52
Onchocerca volvulus 0.0161 0.2644 0.4864
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0765 0.1313
Schistosoma mansoni steroid hormone receptor ad4bp 0.0161 0.2644 0.3959
Brugia malayi nuclear receptor RXR 0.0076 0.1184 0.1675
Schistosoma mansoni cpg binding protein 0.0029 0.0386 0.0578
Schistosoma mansoni hypothetical protein 0.0016 0.0161 0.0241
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0334 0.5633 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0063 0.0061
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0649 0.1283
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0076 0.1184 0.1774
Schistosoma mansoni inositol monophosphatase 0.0045 0.0649 0.0971
Brugia malayi hypothetical protein 0.0076 0.1184 0.1675
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0161 0.2644 0.3959
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0161 0.0194
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0649 0.819
Brugia malayi follicle stimulating hormone receptor 0.028 0.4692 0.6752
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0161 0.2644 0.4666
Loa Loa (eye worm) nuclear receptor NHR-67 0.0076 0.1184 0.2062
Schistosoma mansoni hypothetical protein 0.0016 0.0161 0.0241
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0029 0.0044
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1
Brugia malayi hypothetical protein 0.0085 0.1341 0.1901
Echinococcus multilocularis GPCR, family 2 0.0016 0.0161 0.0241
Echinococcus granulosus ferritin 0.0009 0.0034 0.0051
Echinococcus multilocularis dnaJ subfamily B 0.0395 0.6679 1
Onchocerca volvulus 0.0028 0.0359 0.0613
Schistosoma mansoni ferritin light chain 0.0009 0.0034 0.0051
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0132 0.2148 0.3216
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0029 0.0044
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0161 0.2644 0.3959
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Echinococcus granulosus Nuclear hormone receptor HR96 0.0076 0.1184 0.1774
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0161 0.2644 0.4864
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0161 0.2644 0.4666
Schistosoma mansoni ferritin 0.0009 0.0034 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0161 0.2644 0.4666
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0765 0.1067
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0029 0.0003
Brugia malayi nuclear receptor NHR-88 0.0161 0.2644 0.3787
Echinococcus multilocularis thyroid hormone receptor alpha 0.0292 0.491 0.7352
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0161 0.2644 0.3959
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0076 0.1184 0.1774
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0161 0.2644 0.3787
Schistosoma mansoni apoferritin-2 0.0009 0.0034 0.0051
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0161 0.0194
Echinococcus multilocularis nuclear receptor nhr 48 0.0076 0.1184 0.1774
Echinococcus multilocularis FTZ F1 alpha 0.0161 0.2644 0.3959
Brugia malayi DIX domain containing protein 0.0009 0.0029 0.0003
Brugia malayi Cytochrome P450 family protein 0.0015 0.0137 0.0159
Schistosoma mansoni retinoic acid receptor RXR 0.0161 0.2644 0.3959
Schistosoma mansoni hypothetical protein 0.0016 0.0161 0.0241
Loa Loa (eye worm) hypothetical protein 0.0161 0.2644 0.4666
Brugia malayi hypothetical protein 0.0076 0.1184 0.1675
Loa Loa (eye worm) hypothetical protein 0.0161 0.2644 0.4666
Schistosoma mansoni thyroid hormone receptor 0.0292 0.491 0.7352
Brugia malayi nuclear hormone receptor family member odr-7 0.0076 0.1184 0.1675
Loa Loa (eye worm) hypothetical protein 0.0325 0.5477 0.9721
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0161 0.2644 0.3959
Loa Loa (eye worm) hypothetical protein 0.0051 0.0765 0.1313
Toxoplasma gondii hypothetical protein 0.0047 0.0691 0.8748
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0076 0.1184 0.2149
Onchocerca volvulus Protein ultraspiracle homolog 0.0161 0.2644 0.4864
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0161 0.2644 0.4666
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0161 0.2644 0.3787
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0161 0.2644 0.3959
Giardia lamblia Fructose-bisphosphate aldolase 0.0588 1 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0137 0.0215
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.49 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0485 0.0814
Schistosoma mansoni hypothetical protein 0.0352 0.5934 0.8886
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0287 0.4824 1
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0029 0.0044
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0161 0.2644 0.3959
Brugia malayi Nuclear hormone receptor E75 0.0076 0.1184 0.1675
Brugia malayi Steroid receptor seven-up type 2 0.0161 0.2644 0.3787
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0029 0.0044
Echinococcus granulosus nuclear receptor nhr 48 0.0076 0.1184 0.1774
Brugia malayi hypothetical protein 0.0009 0.0029 0.0003
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0161 0.0241
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0587 0.0945
Loa Loa (eye worm) hypothetical protein 0.0174 0.2881 0.509
Brugia malayi nuclear receptor RXR 0.0085 0.1341 0.1901
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0161 0.2644 0.3787
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0161 0.2644 0.3787
Schistosoma mansoni zinc finger protein 0.0076 0.1184 0.1774
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0029 0.0044
Schistosoma mansoni dep domain containing protein 0.0009 0.0029 0.0044
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0029 0.0044
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0568 0.1115
Loa Loa (eye worm) hypothetical protein 0.0076 0.1184 0.2062
Schistosoma mansoni ferritin 0.0009 0.0034 0.0051
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0029 0.0044
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0588 1 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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