Detailed information for compound 1422285

Basic information

Technical information
  • TDR Targets ID: 1422285
  • Name: 1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3, 4-d]pyridazin-7-yl]-N-(1-phenylethyl)piperidi ne-4-carboxamide
  • MW: 468.593 | Formula: C28H32N6O
  • H donors: 1 H acceptors: 4 LogP: 4.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)n1nc2c(c1C)c(C)nnc2N1CCC(CC1)C(=O)NC(c1ccccc1)C
  • InChi: 1S/C28H32N6O/c1-18-10-12-24(13-11-18)34-21(4)25-20(3)30-31-27(26(25)32-34)33-16-14-23(15-17-33)28(35)29-19(2)22-8-6-5-7-9-22/h5-13,19,23H,14-17H2,1-4H3,(H,29,35)
  • InChiKey: DRTOZFMNONDWOM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]-N-(1-phenylethyl)-4-piperidinecarboxamide
  • 1-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]-N-(1-phenylethyl)isonipecotamide
  • E859-0262
  • NCGC00125899-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis hyperpolarization activated cyclic 0.0021 0.0043 0.0018
Loa Loa (eye worm) RasGEF domain-containing protein 0.0033 0.0128 0.0096
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Loa Loa (eye worm) RasGEF domain-containing protein 0.0033 0.0128 0.0096
Echinococcus multilocularis tar DNA binding protein 0.0776 0.5086 0.9297
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0047 0.0218 0.0273
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0033 0.0128 0.0141
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0072 0.2153
Echinococcus granulosus Pleckstrin G protein interacting region 0.0047 0.0218 0.0341
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0021 0.0043 0.0014
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0064 0.0332 0.0442
Echinococcus multilocularis hyperpolarization activated cyclic 0.0021 0.0043 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0776 0.5086 0.7461
Loa Loa (eye worm) hypothetical protein 0.0951 0.6251 0.6239
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0072 0.0268
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0043 0.001
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0033 0.0128 0.0176
Echinococcus granulosus cGMP dependent protein kinase 1 0.0021 0.0043 0.0018
Mycobacterium ulcerans glutaminase 0.033 0.2109 1
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0033 0.0128 0.0415
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0043 0.0014
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0043 0.0014
Loa Loa (eye worm) DIX domain-containing protein 0.0047 0.0218 0.0186
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0072 0.0268
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0064 0.0332 0.0551
Loa Loa (eye worm) hypothetical protein 0.006 0.0304 0.0272
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0951 0.6251 1
Echinococcus multilocularis son of sevenless 1 0.0033 0.0128 0.0176
Trypanosoma cruzi hypothetical protein 0.0033 0.0128 0.2959
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0039 0.0113
Loa Loa (eye worm) transcription factor SMAD2 0.0626 0.4082 0.4063
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0021 0.0043 0.0018
Loa Loa (eye worm) hypothetical protein 0.0154 0.0934 0.0904
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0072 0.2153
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0072 0.4065
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0025 0.0748
Onchocerca volvulus 0.0021 0.0043 0.0016
Loa Loa (eye worm) glutaminase 2 0.033 0.2109 0.2083
Brugia malayi MH2 domain containing protein 0.0043 0.019 0.0158
Echinococcus granulosus TGF beta signal transducer SmadC 0.0043 0.019 0.029
Loa Loa (eye worm) latrophilin receptor protein 2 0.0478 0.31 0.3077
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0043 0.0014
Loa Loa (eye worm) glutaminase 0.033 0.2109 0.2083
Mycobacterium ulcerans thioesterase 0.0021 0.0044 0.0136
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0021 0.0043 0.0018
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0021 0.0043 0.1286
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0021 0.0043 0.0014
Schistosoma mansoni dishevelled 0.0047 0.0218 0.0273
Echinococcus granulosus tumor protein p63 0.0408 0.2629 0.4777
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0064 0.0332 1
Schistosoma mansoni regulator of G protein signaling 0.0047 0.0218 0.0273
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0021 0.0043 0.0014
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0043 0.0014
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0021 0.0043 0.0018
Echinococcus granulosus segment polarity protein dishevelled 0.0047 0.0218 0.0341
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0072 0.4065
Brugia malayi latrophilin 2 splice variant baaae 0.1034 0.6806 0.6796
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0478 0.31 0.5642
Trichomonas vaginalis ras GTP exchange factor, putative 0.0033 0.0128 0.0415
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0021 0.0043 0.0018
Schistosoma mansoni hypothetical protein 0.0478 0.31 0.4528
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0066 0.2
Schistosoma mansoni dep domain containing protein 0.0047 0.0218 0.0273
Treponema pallidum catabolite gene activator 0.0021 0.0043 0.5
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0021 0.0043 0.0923
Brugia malayi hypothetical protein 0.0047 0.0218 0.0186
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0047 0.0218 0.0186
Echinococcus granulosus Protein son of sevenless 0.0033 0.0128 0.0176
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0082 0.2463
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0021 0.0043 0.1286
Onchocerca volvulus 0.0033 0.0128 0.0154
Schistosoma mansoni dishevelled 0.0047 0.0218 0.0273
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0021 0.0043 0.0014
Loa Loa (eye worm) RasGEF domain-containing protein 0.0033 0.0128 0.0096
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0021 0.0043 0.001
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0033 0.0128 0.0176
Mycobacterium ulcerans hypothetical protein 0.0021 0.0043 0.0131
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0064 0.0332 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0043 0.0014
Schistosoma mansoni z-protein (S1r protein) 0.0047 0.0218 0.0273
Echinococcus multilocularis mothers against decapentaplegic 5 0.0043 0.019 0.029
Echinococcus multilocularis regulator of G protein signaling 7 0.0047 0.0218 0.0341
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0021 0.0043 0.001
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0043 0.0014
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0776 0.5086 0.507
Brugia malayi RasGEF domain containing protein 0.0033 0.0128 0.0096
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0061 0.1825
Loa Loa (eye worm) MH2 domain-containing protein 0.0626 0.4082 0.4063
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5468 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0304 0.0401
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0109 0.2287
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0109 0.2287
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0021 0.0043 0.0014
Mycobacterium ulcerans transmembrane transport protein 0.0021 0.0043 0.0131
Brugia malayi RNA recognition motif domain containing protein 0.0776 0.5086 0.507
Brugia malayi hypothetical protein 0.0154 0.0934 0.0904
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0082 0.0317
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0332 1
Loa Loa (eye worm) nuclear factor I 0.0024 0.0063 0.003
Loa Loa (eye worm) hypothetical protein 0.1034 0.6806 0.6796
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0109 0.2287
Brugia malayi hypothetical protein 0.003 0.0109 0.0076
Loa Loa (eye worm) hypothetical protein 0.0033 0.0128 0.0096
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0033 0.0128 0.0141
Brugia malayi RasGEF domain containing protein 0.0033 0.0128 0.0096
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0021 0.0043 0.001
Echinococcus granulosus segment polarity protein dishevelled 0.0047 0.0218 0.0341
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1512 1 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0043 0.019 0.0232
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0033 0.0128 0.0141
Schistosoma mansoni ras GTP exchange factor 0.0033 0.0128 0.0141
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0551
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0033 0.0128 0.0176
Schistosoma mansoni smad1 5 8 and 0.0043 0.019 0.0232
Brugia malayi MH1 domain containing protein 0.0024 0.0063 0.003
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0021 0.0043 0.0018
Schistosoma mansoni hypothetical protein 0.0478 0.31 0.4528
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0478 0.31 0.5642
Loa Loa (eye worm) MH1 domain-containing protein 0.0043 0.019 0.0158
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0021 0.0043 0.0018
Treponema pallidum cyclic nucleotide binding protein 0.0021 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0218 0.0186
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0021 0.0043 0.0018
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0064 0.0332 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0218 0.0186
Echinococcus multilocularis segment polarity protein dishevelled 0.0047 0.0218 0.0341
Brugia malayi MH1 domain containing protein 0.0043 0.019 0.0158
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0021 0.0043 0.0923
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0043 0.019 0.029
Loa Loa (eye worm) Smad1 0.0043 0.019 0.0158
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0024 0.0328
Echinococcus granulosus voltage gated potassium channel 0.0021 0.0043 0.0018
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0478 0.31 0.5642
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0043 0.1286
Echinococcus granulosus mothers against decapentaplegic 5 0.0043 0.019 0.029
Echinococcus multilocularis Protein son of sevenless 0.0033 0.0128 0.0176
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0021 0.0043 0.001
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.0154 0.4621
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0332 1
Echinococcus granulosus cGMP dependent protein kinase 1 0.0021 0.0043 0.0018
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0551
Loa Loa (eye worm) hypothetical protein 0.0024 0.0063 0.003
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0021 0.0043 0.0923
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0043 0.001
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0043 0.0014
Loa Loa (eye worm) hypothetical protein 0.0033 0.0128 0.0096
Brugia malayi MH2 domain containing protein 0.0626 0.4082 0.4063
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0033 0.0128 0.2959
Echinococcus granulosus smad 0.0043 0.019 0.029
Schistosoma mansoni hypothetical protein 0.0478 0.31 0.4528
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0033 0.0128 0.0154
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0021 0.0043 0.0014
Loa Loa (eye worm) hypothetical protein 0.0042 0.0184 0.0152
Brugia malayi regulator of G-protein signaling egl-10 0.0047 0.0218 0.0186
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0043 0.0014
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0032 0.0118 0.0125
Echinococcus granulosus hyperpolarization activated cyclic 0.0021 0.0043 0.0018
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0021 0.0043 0.0923
Brugia malayi RasGEF domain containing protein 0.0033 0.0128 0.0096
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0021 0.0043 0.0018
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0043 0.0014
Brugia malayi MH1 domain containing protein 0.0043 0.019 0.0158
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0043 0.1981
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0082 0.0317
Brugia malayi Calcitonin receptor-like protein seb-1 0.1512 1 1
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0044 0.0136
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0043 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0776 0.5086 0.7461
Schistosoma mansoni hypothetical protein 0.0478 0.31 0.4528
Schistosoma mansoni smad1 5 8 and 0.0043 0.019 0.0232
Brugia malayi MH2 domain containing protein 0.0043 0.019 0.0158
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.0205 0.0276
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0109 0.2287
Schistosoma mansoni tar DNA-binding protein 0.0776 0.5086 0.7461
Treponema pallidum catabolite gene activator (Crp) 0.0021 0.0043 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0021 0.0043 0.0018
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0072 0.0268
Echinococcus granulosus patatin phospholipase domain containing protein 0.0021 0.0043 0.0018
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0039 0.172
Loa Loa (eye worm) hypothetical protein 0.003 0.0109 0.0076
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0082 0.481
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Trichomonas vaginalis glutaminase, putative 0.033 0.2109 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0064 0.0332 1
Loa Loa (eye worm) RNA binding protein 0.0776 0.5086 0.507
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0021 0.0043 0.0923
Loa Loa (eye worm) hypothetical protein 0.0047 0.0218 0.0186
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0021 0.0043 0.0018
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0066 0.2
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0332 1
Loa Loa (eye worm) hypothetical protein 0.1512 1 1
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0082 0.481
Echinococcus multilocularis segment polarity protein dishevelled 0.0047 0.0218 0.0341
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0047 0.0218 0.0186
Schistosoma mansoni tar DNA-binding protein 0.0776 0.5086 0.7461
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.001
Onchocerca volvulus 0.0043 0.0194 0.0259
Loa Loa (eye worm) TAR-binding protein 0.0776 0.5086 0.507
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0082 0.2463
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.0154 0.4621
Loa Loa (eye worm) isocitrate dehydrogenase 0.0064 0.0332 0.03
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0021 0.0043 0.0014
Echinococcus multilocularis GPCR, family 2 0.0478 0.31 0.5642
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0021 0.0043 0.5
Brugia malayi Cyclic-nucleotide gated cation channel 0.0021 0.0043 0.001
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0041 0.1244
Echinococcus granulosus tar DNA binding protein 0.0776 0.5086 0.9297
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0021 0.0043 0.0018
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0021 0.0043 0.1286
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0021 0.0043 0.0014
Echinococcus granulosus ras GTP exchange factor 0.0033 0.0128 0.0176
Onchocerca volvulus 0.0023 0.0061 0.0045
Loa Loa (eye worm) hypothetical protein 0.0021 0.0043 0.001
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0021 0.0043 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0072 0.2153
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0033 0.0128 0.0415
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0021 0.0043 0.0018
Echinococcus granulosus regulator of G protein signaling 7 0.0047 0.0218 0.0341
Brugia malayi N-terminal motif family protein 0.0951 0.6251 0.6239
Mycobacterium ulcerans hypothetical protein 0.0021 0.0043 0.0131
Mycobacterium ulcerans polyketide synthase 0.0026 0.0082 0.0317
Brugia malayi Egg laying defective protein 4 0.0021 0.0043 0.001
Echinococcus granulosus cGMP dependent protein kinase 0.0021 0.0043 0.0018
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0033 0.0128 0.0176
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0109 0.2287
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0021 0.0043 0.001
Echinococcus multilocularis tumor protein p63 0.0408 0.2629 0.4777
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0551
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0061 0.0028
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0047 0.0218 0.0341
Onchocerca volvulus 0.006 0.0304 0.0437
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0043 0.0014
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0043 0.0018
Echinococcus multilocularis expressed conserved protein 0.0021 0.0043 0.0018
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0021 0.0043 0.0018
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5468 1
Brugia malayi glutaminase DH11.1 0.033 0.2109 0.2083
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0021 0.0043 0.001
Onchocerca volvulus 0.0047 0.0218 0.0298
Schistosoma mansoni smad1 5 8 and 0.0043 0.019 0.0232
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0064 0.0332 0.0551
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0033 0.0128 0.0141
Onchocerca volvulus 0.0154 0.0934 0.1449
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0072 0.0039
Brugia malayi DIX domain containing protein 0.0047 0.0218 0.0186
Schistosoma mansoni Smad4 0.0043 0.019 0.0232
Mycobacterium ulcerans hypothetical protein 0.0021 0.0043 0.0131
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.022 0.0188
Brugia malayi MH1 domain containing protein 0.0024 0.0063 0.003
Entamoeba histolytica hypothetical protein 0.0033 0.0128 0.5
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0021 0.0043 0.0018
Echinococcus multilocularis smad 0.0043 0.019 0.029
Echinococcus granulosus regulator of G protein signaling 7 0.0047 0.0218 0.0341
Onchocerca volvulus 0.0021 0.0043 0.0016
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0039 0.0113
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0043 0.1286
Mycobacterium tuberculosis Conserved protein 0.0021 0.0043 0.1286
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0021 0.0043 0.0014
Brugia malayi N-terminal motif family protein 0.0033 0.0128 0.0096
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0109 0.2999
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0109 0.2287
Echinococcus granulosus GPCR family 2 0.0478 0.31 0.5642
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0082 0.481
Schistosoma mansoni tar DNA-binding protein 0.0776 0.5086 0.7461
Brugia malayi hypothetical protein 0.0047 0.0218 0.0186
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0021 0.0043 0.0014
Loa Loa (eye worm) AGC/PKG protein kinase 0.0021 0.0043 0.001
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0043 0.0018
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0033 0.0128 0.0415
Loa Loa (eye worm) fatty acid synthase 0.0025 0.0069 0.0036
Brugia malayi Isocitrate dehydrogenase 0.0064 0.0332 0.03
Echinococcus multilocularis regulator of G protein signaling 7 0.0047 0.0218 0.0341
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0021 0.0043 0.0018
Loa Loa (eye worm) hypothetical protein 0.0478 0.31 0.3077
Brugia malayi RNA binding protein 0.0776 0.5086 0.507
Schistosoma mansoni hypothetical protein 0.0021 0.0043 0.0014
Echinococcus multilocularis ras GTP exchange factor 0.0033 0.0128 0.0176
Treponema pallidum cyclic nucleotide binding protein 0.0021 0.0043 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0047 0.0218 0.0186
Toxoplasma gondii isocitrate dehydrogenase 0.0064 0.0332 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0064 0.0332 1
Brugia malayi N-terminal motif family protein 0.0033 0.0128 0.0096
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0021 0.0043 0.0018
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0043 0.0014
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0082 0.2149
Schistosoma mansoni hypothetical protein 0.1034 0.6806 1
Brugia malayi TAR-binding protein 0.0776 0.5086 0.507
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5468 0.8025
Echinococcus granulosus son of sevenless 1 0.0033 0.0128 0.0176
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0082 0.2463
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0478 0.31 0.5642
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0072 0.0268
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0021 0.0043 0.0014
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0043 0.0018
Echinococcus multilocularis isocitrate dehydrogenase 0.0064 0.0332 0.0551
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Echinococcus granulosus Smad4 0.0043 0.019 0.029
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0021 0.0043 0.0018
Mycobacterium ulcerans regulatory protein 0.0021 0.0043 0.0131
Brugia malayi Smad1 0.0043 0.019 0.0158
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Leishmania major hypothetical protein, conserved 0.003 0.0109 0.2287
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.0154 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0044 0.1321
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.0154 0.066
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0064 0.0332 1
Mycobacterium ulcerans polyketide synthase 0.0025 0.0072 0.0268
Brugia malayi isocitrate dehydrogenase 0.0064 0.0332 0.03
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0021 0.0043 0.001
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0047 0.0218 0.0298
Brugia malayi hypothetical protein 0.002 0.0037 0.0004
Echinococcus granulosus hyperpolarization activated cyclic 0.0021 0.0043 0.0018
Toxoplasma gondii hypothetical protein 0.0047 0.0218 0.642
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0021 0.0043 0.1286
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0044 0.2064
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0021 0.0043 0.0018
Echinococcus multilocularis Smad4 0.0043 0.019 0.029
Schistosoma mansoni glutaminase 0.033 0.2109 0.3066
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0021 0.0043 0.0923
Schistosoma mansoni smad 0.0043 0.019 0.0232
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0021 0.0043 0.0014
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0043 0.0018
Loa Loa (eye worm) MH2 domain-containing protein 0.0043 0.019 0.0158
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0478 0.31 0.3077
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0021 0.0043 0.0018
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0033 0.0128 0.5
Brugia malayi Latrophilin receptor protein 2 0.0478 0.31 0.3077
Trypanosoma cruzi hypothetical protein 0.0033 0.0128 0.2959
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0061 0.0028
Mycobacterium ulcerans transcriptional regulatory protein 0.0021 0.0043 0.0131
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0021 0.0043 0.0018
Mycobacterium ulcerans hypothetical protein 0.0021 0.0043 0.0131

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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