Detailed information for compound 1422293

Basic information

Technical information
  • TDR Targets ID: 1422293
  • Name: N-(2-adamantylideneamino)-2-methylfuran-3-car boxamide
  • MW: 272.342 | Formula: C16H20N2O2
  • H donors: 1 H acceptors: 1 LogP: 2.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccoc1C)N/N=C/1\C2CC3CC1CC(C2)C3
  • InChi: 1S/C16H20N2O2/c1-9-14(2-3-20-9)16(19)18-17-15-12-5-10-4-11(7-12)8-13(15)6-10/h2-3,10-13H,4-8H2,1H3,(H,18,19)/b17-15-
  • InChiKey: PFBAEILHFZSPDE-ICFOKQHNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-adamantylideneamino)-2-methyl-furan-3-carboxamide
  • N-(2-adamantylideneamino)-2-methyl-3-furancarboxamide
  • N-(2-adamantylideneamino)-2-methyl-3-furamide
  • 2-methyl-N'-tricyclo[3.3.1.1~3,7~]dec-2-ylidene-3-furohydrazide
  • MLS000549532
  • AK-968/41925448
  • SMR000115063
  • ZINC00375468
  • IVK/9072805

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, 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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, 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
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica 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 brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
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
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Brugia malayi Inositol-1 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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
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 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
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 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0269 0.0399 0.0419
Loa Loa (eye worm) hypothetical protein 0.0416 0.0648 0.0648
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.0812 1
Schistosoma mansoni nuclear receptor 0.0241 0.035 0.0367
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.01 0.0112 0.0112
Echinococcus granulosus Nuclear hormone receptor HR96 0.0241 0.035 0.035
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Echinococcus multilocularis SWI:SNF matrix associated 0.0233 0.0338 0.0338
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0241 0.035 0.035
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.0812 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0512 0.0812 0.0812
Schistosoma mansoni nuclear hormone receptor 0.051 0.0808 0.0847
Leishmania major hypothetical protein, conserved 0.0083 0.0083 0.102
Schistosoma mansoni TRABID protein (C64 family) 0.0083 0.0083 0.0087
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0241 0.035 0.035
Loa Loa (eye worm) DR-78 0.0241 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-1 0.051 0.0808 0.0808
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0233 0.0338 0.5219
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0018 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0241 0.035 0.035
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.01 0.0112 0.0112
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0018 0.0025
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.051 0.0808 0.0808
Brugia malayi serine/threonine-protein kinase plk-2 0.0512 0.0812 0.0812
Brugia malayi ecdysteroid receptor 0.051 0.0808 0.0808
Schistosoma mansoni nuclear hormone receptor 0.0241 0.035 0.0367
Trichomonas vaginalis conserved hypothetical protein 0.0233 0.0338 0.4034
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Echinococcus granulosus nuclear receptor 2DBD gamma 0.051 0.0808 0.0808
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0083 0.0083 0.102
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Brugia malayi Inositol-1 0.0045 0.0018 0.0018
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0233 0.0338 0.0338
Schistosoma mansoni thyroid hormone receptor 0.051 0.0808 0.0847
Brugia malayi Pip kinase protein 2 0.0347 0.0531 0.0531
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0018 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.0083 0.102
Echinococcus granulosus SWI:SNF matrix associated 0.0233 0.0338 0.0338
Echinococcus granulosus nuclear receptor 2DBD gamma 0.051 0.0808 0.0808
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.004 0.0042
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.051 0.0808 0.0847
Echinococcus granulosus zinc finger protein Ran binding 0.0083 0.0083 0.0083
Brugia malayi Steroid receptor seven-up type 2 0.051 0.0808 0.0808
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0272 0.0404 0.6188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0036 0.0037
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0083 0.0083 0.102
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Schistosoma mansoni thyroid hormone receptor 0.051 0.0808 0.0847
Leishmania major hypothetical protein, conserved 0.0083 0.0083 0.102
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0416 0.0648 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.051 0.0808 0.0808
Onchocerca volvulus 0.0083 0.0083 0.0558
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0143 0.0185 0.2857
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.5653 0.9543 1
Schistosoma mansoni hypothetical protein 0.0233 0.0338 0.0354
Echinococcus multilocularis SWI:SNF matrix associated 0.0233 0.0338 0.0338
Brugia malayi Nuclear hormone receptor family member nhr-31 0.051 0.0808 0.0808
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0416 0.0648 0.0648
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0083 0.0083 0.102
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0269 0.0399 0.0399
Echinococcus multilocularis GPCR, family 2 0.01 0.0112 0.0112
Schistosoma mansoni Tr4/Tr2 (homologue) 0.051 0.0808 0.0847
Echinococcus multilocularis ring and YY1 binding protein 0.0083 0.0083 0.0083
Brugia malayi nuclear hormone receptor 0.0241 0.035 0.035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.051 0.0808 0.0808
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0416 0.0648 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Brugia malayi nuclear hormone receptor 0.051 0.0808 0.0808
Trichomonas vaginalis CAMK family protein kinase 0.0254 0.0373 0.4469
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0241 0.035 0.035
Loa Loa (eye worm) nuclear receptor NHR-67 0.0241 0.035 0.035
Brugia malayi Nuclear hormone receptor-like 1 0.051 0.0808 0.0808
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.004 0.0042
Trypanosoma cruzi WLM domain containing protein, putative 0.0083 0.0083 0.102
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.0083 0.0083
Schistosoma mansoni zinc finger protein 0.0083 0.0083 0.0087
Brugia malayi mbt repeat family protein 0.0058 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0347 0.0531 0.0531
Schistosoma mansoni peptidase Clp (S14 family) 0.0416 0.0648 0.0679
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0416 0.0648 1
Trypanosoma brucei hypothetical protein, conserved 0.0083 0.0083 0.102
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Brugia malayi conserved hypotetical protein 0.0241 0.035 0.035
Giardia lamblia Kinase, PLK 0.0512 0.0812 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.051 0.0808 0.0808
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.051 0.0808 0.0808
Brugia malayi Nuclear hormone receptor E75 0.0241 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Trypanosoma brucei polo-like protein kinase 0.0512 0.0812 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.0327 0.0327
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0241 0.035 0.0367
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.051 0.0808 0.0847
Loa Loa (eye worm) hypothetical protein 0.0269 0.0399 0.0399
Brugia malayi hypothetical protein 0.0241 0.035 0.035
Onchocerca volvulus 0.0233 0.0338 0.3863
Echinococcus multilocularis FTZ F1 alpha 0.051 0.0808 0.0808
Trypanosoma cruzi polo-like protein kinase, putative 0.0512 0.0812 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.004 0.004
Schistosoma mansoni zinc finger protein 0.0241 0.035 0.0367
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.0812 1
Brugia malayi mbt repeat family protein 0.0058 0.004 0.004
Brugia malayi nuclear receptor NHR-67 0.0241 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Schistosoma mansoni hypothetical protein 0.0083 0.0083 0.0087
Brugia malayi tailless protein 0.0241 0.035 0.035
Brugia malayi hypothetical protein 0.0269 0.0399 0.0399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.5922 1 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Brugia malayi ecdysone receptor 0.0241 0.035 0.035
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.051 0.0808 0.0808
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0416 0.0648 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0083 0.0083 0.0083
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.0218
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.051 0.0808 0.0808
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.01 0.0112 0.0112
Echinococcus multilocularis tumor protein p63 0.0408 0.0635 0.0635
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0233 0.0338 0.0338
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0272 0.0404 1
Schistosoma mansoni coup transcription factor 0.051 0.0808 0.0847
Schistosoma mansoni steroid hormone receptor ad4bp 0.051 0.0808 0.0847
Brugia malayi Calcitonin receptor-like protein seb-1 0.0317 0.048 0.048
Brugia malayi Nuclear hormone receptor-like 1 0.0269 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0083 0.0083 0.0083
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.051 0.0808 0.0808
Schistosoma mansoni inositol monophosphatase 0.0045 0.0018 0.0019
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.051 0.0808 0.0808
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0083 0.0083 0.0558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.051 0.0808 0.0808
Echinococcus granulosus peptidase Clp S14 family 0.0272 0.0404 0.0404
Echinococcus multilocularis zinc finger protein Ran binding 0.0083 0.0083 0.0083
Loa Loa (eye worm) MBCTL1 0.0066 0.0053 0.0053
Brugia malayi Nuclear hormone receptor E75 0.0241 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0083 0.0083 0.0083
Schistosoma mansoni hypothetical protein 0.035 0.0537 0.0562
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.051 0.0808 0.0808
Onchocerca volvulus Protein ultraspiracle homolog 0.051 0.0808 0.9949
Loa Loa (eye worm) hypothetical protein 0.0083 0.0083 0.0083
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0269 0.0399 0.0399
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0241 0.035 0.4024
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0083 0.0083 0.102
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.051 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Trypanosoma brucei hypothetical protein, conserved 0.0083 0.0083 0.102
Brugia malayi brahma associated protein 60 kDa 0.0233 0.0338 0.0338
Onchocerca volvulus 0.006 0.0043 0.0047
Loa Loa (eye worm) nuclear hormone receptor 0.0241 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-19 0.051 0.0808 0.0808
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0347 0.0531 0.0556
Schistosoma mansoni hypothetical protein 0.01 0.0112 0.0118
Schistosoma mansoni fusion 0.0083 0.0083 0.0087
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0269 0.0399 0.0419
Loa Loa (eye worm) hypothetical protein 0.0269 0.0399 0.0399
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.0083 0.0083
Onchocerca volvulus 0.0241 0.035 0.4024
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0416 0.0648 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0058 0.004 0.004
Schistosoma mansoni hypothetical protein 0.01 0.0112 0.0118
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0512 0.0812 0.0812
Schistosoma mansoni hypothetical protein 0.0233 0.0338 0.0354
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.5922 1 1
Onchocerca volvulus 0.0083 0.0083 0.0558
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0347 0.0531 0.0556
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.01 0.0112 0.0112
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0036 0.0036
Brugia malayi hypothetical protein 0.0241 0.035 0.035
Onchocerca volvulus Serine\/threonine kinase homolog 0.0512 0.0812 1
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.0083 0.102
Schistosoma mansoni retinoid-x-receptor (RXR) 0.051 0.0808 0.0847
Brugia malayi nuclear receptor RXR 0.0269 0.0399 0.0399
Echinococcus granulosus tumor protein p63 0.0408 0.0635 0.0635
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0317 0.048 0.048
Schistosoma mansoni inositol monophosphatase 0.0045 0.0018 0.0019
Echinococcus granulosus Zinc finger RanBP2 type 0.0083 0.0083 0.0083
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0233 0.0338 0.5219
Echinococcus granulosus GPCR family 2 0.01 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0269 0.0399 0.0399
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0233 0.0338 0.5219
Brugia malayi orphan nuclear receptor NR2E1 0.0241 0.035 0.035
Onchocerca volvulus 0.051 0.0808 0.9949
Brugia malayi steroid hormone receptor 0.051 0.0808 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-3 0.051 0.0808 0.0808
Schistosoma mansoni hypothetical protein 0.0043 0.0016 0.0016
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0053 0.0053
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.0812 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.01 0.0112 0.0112
Loa Loa (eye worm) steroid hormone receptor 0.051 0.0808 0.0808
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0233 0.0338 0.5219
Loa Loa (eye worm) brahma associated protein 0.0233 0.0338 0.0338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.051 0.0808 0.0808
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.5922 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0269 0.0399 0.0399
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.0812 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0241 0.035 0.035
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0416 0.0648 1
Loa Loa (eye worm) hypothetical protein 0.0317 0.048 0.048
Trypanosoma cruzi WLM domain containing protein, putative 0.0083 0.0083 0.102
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0512 0.0812 1
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.0083 0.102
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0083 0.0083 0.102
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0036 0.0037
Echinococcus multilocularis thyroid hormone receptor alpha 0.051 0.0808 0.0808
Echinococcus granulosus ecdysone induced protein 78C 0.051 0.0808 0.0808
Schistosoma mansoni serine/threonine protein kinase 0.0512 0.0812 0.0851
Loa Loa (eye worm) hypothetical protein 0.021 0.0299 0.0299
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.001 0.0241
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.0218
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0053 0.0053
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0233 0.0338 0.0338
Brugia malayi latrophilin 2 splice variant baaae 0.0217 0.031 0.031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0036 0.0036
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0241 0.035 0.035
Onchocerca volvulus 0.0083 0.0083 0.0558
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0083 0.0083 0.0083
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.004 0.004
Brugia malayi SWIB/MDM2 domain containing protein 0.0233 0.0338 0.0338
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0036 0.0036
Echinococcus granulosus nuclear receptor nhr 48 0.0241 0.035 0.035
Echinococcus granulosus thyroid hormone receptor alpha 0.0241 0.035 0.035
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0018 0.0273
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0512 0.0812 0.0812
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0416 0.0648 1
Echinococcus granulosus ring and YY1 binding protein 0.0083 0.0083 0.0083
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0241 0.035 0.035
Schistosoma mansoni kinase 0.026 0.0384 0.0402
Loa Loa (eye worm) hypothetical protein 0.0083 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0053 0.0053
Schistosoma mansoni hypothetical protein 0.0217 0.031 0.0325
Schistosoma mansoni hypothetical protein 0.01 0.0112 0.0118
Echinococcus multilocularis ecdysone induced protein 78C 0.051 0.0808 0.0808
Brugia malayi Nuclear hormone receptor family member nhr-40 0.051 0.0808 0.0808
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0416 0.0648 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.051 0.0808 0.0847
Entamoeba histolytica serine/threonine protein kinase, putative 0.0512 0.0812 1
Onchocerca volvulus 0.0083 0.0083 0.0558
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0083 0.0083 0.102
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0083 0.0083 0.0083
Brugia malayi photoreceptor-specific nuclear receptor 0.051 0.0808 0.0808
Echinococcus multilocularis peptidase Clp (S14 family) 0.0272 0.0404 0.0404
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0241 0.035 0.035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.051 0.0808 0.0808
Echinococcus granulosus FTZ F1 alpha 0.051 0.0808 0.0808
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0416 0.0648 1
Schistosoma mansoni hypothetical protein 0.0233 0.0338 0.0354
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.004 0.0042
Loa Loa (eye worm) hypothetical protein 0.0269 0.0399 0.0399
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0416 0.0648 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0233 0.0338 0.0338
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0317 0.048 0.048
Brugia malayi Nuclear hormone receptor family member nhr-25 0.051 0.0808 0.0808
Brugia malayi YY1-associated factor 2 0.0083 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.01 0.0112 0.0112
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0347 0.0531 0.0531
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0083 0.0083 0.1279
Leishmania major hypothetical protein, conserved 0.0083 0.0083 0.102
Echinococcus multilocularis nuclear receptor nhr 48 0.0241 0.035 0.035
Leishmania major hypothetical protein, conserved 0.0083 0.0083 0.102
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.0218
Brugia malayi Nuclear hormone receptor family member nhr-25 0.051 0.0808 0.0808
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0241 0.035 0.4024
Schistosoma mansoni nuclear receptor 0.0241 0.035 0.0367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0036 0.0037
Brugia malayi Probable ClpP-like protease 0.0416 0.0648 0.0648
Toxoplasma gondii hypothetical protein 0.0143 0.0185 0.2857
Echinococcus granulosus retinoic acid receptor rxr beta a 0.051 0.0808 0.0808
Schistosoma mansoni nuclear receptor nhr-48 0.0241 0.035 0.0367
Schistosoma mansoni RAR-like nuclear receptor 0.051 0.0808 0.0847
Brugia malayi brahma associated protein 60 kDa 0.0233 0.0338 0.0338
Brugia malayi Latrophilin receptor protein 2 0.01 0.0112 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-41 0.051 0.0808 0.0808
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0053 0.0056
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0016 0.0016
Brugia malayi nuclear hormone receptor family member nhr-6 0.0241 0.035 0.035
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0083 0.0083 0.0083
Brugia malayi nuclear hormone receptor family member odr-7 0.0241 0.035 0.035
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.0812 1
Schistosoma mansoni RNA binding protein 0.0083 0.0083 0.0087
Schistosoma mansoni retinoic acid receptor RXR 0.051 0.0808 0.0847
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.051 0.0808 0.0808
Toxoplasma gondii ran binding protein 0.0083 0.0083 0.1279
Loa Loa (eye worm) latrophilin receptor protein 2 0.01 0.0112 0.0112
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0241 0.035 0.035
Brugia malayi nuclear receptor NHR-88 0.051 0.0808 0.0808
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0416 0.0648 1
Schistosoma mansoni brg-1 associated factor 0.0233 0.0338 0.0354
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0016 0.0016
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0053 0.0053
Plasmodium vivax hypothetical protein, conserved 0.0233 0.0338 0.5219
Trichomonas vaginalis CAMK family protein kinase 0.0512 0.0812 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.051 0.0808 0.0847
Onchocerca volvulus 0.0241 0.035 0.4024
Brugia malayi nuclear receptor RXR 0.0241 0.035 0.035
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1605 0.1605
Trypanosoma cruzi polo-like protein kinase, putative 0.0512 0.0812 1
Brugia malayi hypothetical protein 0.0269 0.0399 0.0399
Trichomonas vaginalis CAMK family protein kinase 0.0254 0.0373 0.4469
Onchocerca volvulus Bile acid receptor homolog 0.051 0.0808 0.9949
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0083 0.0083 0.0083
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0241 0.035 0.035
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0347 0.0531 0.0531
Schistosoma mansoni nuclear hormone receptor 0.0241 0.035 0.0367
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0143 0.0185 0.2857
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0233 0.0338 0.5219
Schistosoma mansoni hypothetical protein 0.01 0.0112 0.0118
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0269 0.0399 0.0399
Loa Loa (eye worm) hypothetical protein 0.0269 0.0399 0.0399
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0083 0.0083 0.1279
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0143 0.0185 0.2748
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0416 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.051 0.0808 0.0808
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.051 0.0808 0.9949
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0043 0.0045
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0018 0.0218
Loa Loa (eye worm) inositol-1 0.0045 0.0018 0.0018
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0083 0.0083 0.102
Loa Loa (eye worm) pip kinase 2 0.0347 0.0531 0.0531
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0036 0.0036
Onchocerca volvulus 0.0347 0.0531 0.6357
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.021 0.0299 0.3359
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.051 0.0808 0.0808
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.051 0.0808 0.0808
Brugia malayi hypothetical protein 0.0043 0.0016 0.0016
Brugia malayi N-terminal motif family protein 0.021 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0066 0.0053 0.0053
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0272 0.0404 1
Brugia malayi nuclear receptor NHR-88 0.0241 0.035 0.035
Brugia malayi Nuclear hormone receptor family member nhr-19 0.051 0.0808 0.0808
Loa Loa (eye worm) hypothetical protein 0.0241 0.035 0.035
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0217 0.031 0.031
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.004 0.004
Leishmania major hypothetical protein, conserved 0.0083 0.0083 0.102

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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