Detailed information for compound 1419132

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.468 | Formula: C20H29FN4O3
  • H donors: 1 H acceptors: 2 LogP: 0.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCCN(C1CC(=O)N(CCN1CCOCC1)C)Cc1ccccc1F
  • InChi: 1S/C20H29FN4O3/c1-23(8-9-24-10-12-28-13-11-24)19(26)14-18-20(27)22-6-7-25(18)15-16-4-2-3-5-17(16)21/h2-5,18H,6-15H2,1H3,(H,22,27)
  • InChiKey: MMNHQYDAJZRZNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0013 0.001 0.0015
Echinococcus granulosus cGMP dependent protein kinase 0.0013 0.001 0.0032
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0024 0.009 0.3251
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0013 0.001 0.0032
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0013 0.001 0.0032
Echinococcus multilocularis GPCR, family 2 0.0451 0.3109 0.9538
Loa Loa (eye worm) transcription factor SMAD2 0.0374 0.2564 0.2564
Entamoeba histolytica hypothetical protein 0.0043 0.0227 1
Treponema pallidum cyclic nucleotide binding protein 0.0013 0.001 0.5
Treponema pallidum cyclic nucleotide binding protein 0.0013 0.001 0.5
Schistosoma mansoni tar DNA-binding protein 0.0473 0.326 0.4786
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0101 0.3683
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0013 0.001 0.0032
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0029 0.0127 0.0389
Echinococcus multilocularis tar DNA binding protein 0.0473 0.326 1
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.002 0.006 0.0088
Brugia malayi MH1 domain containing protein 0.0025 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.1426 1 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0013 0.001 0.0032
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0255 1
Echinococcus granulosus segment polarity protein dishevelled 0.0029 0.0127 0.0389
Toxoplasma gondii type I fatty acid synthase, putative 0.0017 0.0041 0.141
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0013 0.001 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0473 0.326 0.4786
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0013 0.001 0.5
Mycobacterium ulcerans polyketide synthase Pks13 0.0036 0.0174 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0048 0.0255 0.0784
Entamoeba histolytica hypothetical protein 0.0043 0.0227 1
Onchocerca volvulus 0.0021 0.0067 0.0163
Schistosoma mansoni smad1 5 8 and 0.0025 0.01 0.0146
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0019 0.0057 0.2826
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0101 0.5503
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.001 0.0015
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0013 0.001 0.001
Schistosoma mansoni z-protein (S1r protein) 0.0029 0.0127 0.0186
Brugia malayi MH1 domain containing protein 0.0025 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0019
Echinococcus granulosus regulator of G protein signaling 7 0.0029 0.0127 0.0389
Schistosoma mansoni smad 0.0025 0.01 0.0146
Echinococcus multilocularis segment polarity protein dishevelled 0.0029 0.0127 0.0389
Onchocerca volvulus 0.0013 0.001 0.0025
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0048 0.0255 0.0784
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0048 0.0255 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0067 0.0067
Loa Loa (eye worm) Smad1 0.0025 0.01 0.01
Mycobacterium leprae Polyketide synthase Pks13 0.0036 0.0174 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0013 0.001 0.001
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0013 0.001 0.0015
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.001 0.0032
Loa Loa (eye worm) TAR-binding protein 0.0473 0.326 0.326
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0048 0.0255 0.0375
Loa Loa (eye worm) hypothetical protein 0.0029 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0041 0.0206 0.0206
Loa Loa (eye worm) isocitrate dehydrogenase 0.0048 0.0255 0.0255
Entamoeba histolytica hypothetical protein 0.0043 0.0227 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0013 0.001 0.0032
Echinococcus granulosus hyperpolarization activated cyclic 0.0013 0.001 0.0032
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0013 0.001 0.0032
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0021 0.0067 0.0206
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.001 0.0032
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.009 0.3251
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0021 0.0067 0.0099
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0013 0.001 0.001
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0029 0.0127 0.0127
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0596 0.413 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.009 0.4857
Mycobacterium ulcerans polyketide synthase 0.0024 0.009 0.4857
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0019 0.0057 0.2826
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0013 0.001 0.0015
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0255 0.0784
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.01 0.01
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0024 0.009 0.4857
Schistosoma mansoni hypothetical protein 0.0975 0.681 1
Brugia malayi RNA recognition motif domain containing protein 0.0473 0.326 0.326
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0059 0.1983
Brugia malayi RNA binding protein 0.0473 0.326 0.326
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0079 0.2794
Echinococcus multilocularis geminin 0.0205 0.1366 0.4189
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0017 0.0042 0.1291
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0013 0.001 0.0188
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0013 0.001 0.0032
Schistosoma mansoni dishevelled 0.0029 0.0127 0.0186
Echinococcus multilocularis isocitrate dehydrogenase 0.0048 0.0255 0.0784
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0079 0.0079
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0013 0.001 0.0032
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0013 0.001 0.0015
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0227 0.0695
Echinococcus granulosus geminin 0.0205 0.1366 0.4189
Schistosoma mansoni hypothetical protein 0.0013 0.001 0.0015
Echinococcus granulosus tar DNA binding protein 0.0473 0.326 1
Trichomonas vaginalis ras GTP exchange factor, putative 0.0021 0.0067 1
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0013 0.001 0.001
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.009 0.4857
Brugia malayi Cyclic-nucleotide gated cation channel 0.0013 0.001 0.001
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0013 0.001 0.0032
Schistosoma mansoni regulator of G protein signaling 0.0029 0.0127 0.0186
Brugia malayi MH1 domain containing protein 0.0014 0.0019 0.0019
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0048 0.0255 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.002 0.0062 0.2091
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0451 0.3109 0.9538
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0013 0.001 0.001
Echinococcus granulosus Pleckstrin G protein interacting region 0.0029 0.0127 0.0389
Echinococcus granulosus ras GTP exchange factor 0.0021 0.0067 0.0206
Trypanosoma cruzi hypothetical protein 0.0021 0.0067 0.2319
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0451 0.3109 0.3109
Echinococcus granulosus cGMP dependent protein kinase 1 0.0013 0.001 0.0032
Loa Loa (eye worm) RasGEF domain-containing protein 0.0021 0.0067 0.0067
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.001 0.0015
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0013 0.001 0.0015
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0013 0.001 0.0015
Brugia malayi Egg laying defective protein 4 0.0013 0.001 0.001
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0079 0.0079
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0021 0.0067 0.2319
Brugia malayi MH2 domain containing protein 0.0374 0.2564 0.2564
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.01 0.0306
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.001 0.0032
Loa Loa (eye worm) MH2 domain-containing protein 0.0374 0.2564 0.2564
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0048 0.0255 1
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0013 0.001 0.0032
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0101 0.5503
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0101 0.3802
Treponema pallidum catabolite gene activator 0.0013 0.001 0.5
Brugia malayi hypothetical protein 0.0043 0.0227 0.0227
Echinococcus multilocularis segment polarity protein dishevelled 0.0029 0.0127 0.0389
Toxoplasma gondii hypothetical protein 0.0029 0.0127 0.4845
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.001 0.001
Echinococcus granulosus patatin phospholipase domain containing protein 0.0013 0.001 0.0032
Echinococcus multilocularis Smad4 0.0025 0.01 0.0306
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.01 0.0306
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0013 0.001 0.0032
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0016 0.0032 0.1335
Brugia malayi isocitrate dehydrogenase 0.0048 0.0255 0.0255
Echinococcus multilocularis expressed conserved protein 0.0013 0.001 0.0032
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.002 0.0062 0.3124
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0101 0.5503
Mycobacterium ulcerans Type I modular polyketide synthase 0.0024 0.009 0.4857
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0255 0.0784
Onchocerca volvulus 0.0013 0.001 0.0025
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.001 0.0015
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0255 1
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0101 0.3683
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.003 0.0979
Brugia malayi RasGEF domain containing protein 0.0021 0.0067 0.0067
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.001 0.0015
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0451 0.3109 0.9538
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0255 1
Loa Loa (eye worm) nuclear factor I 0.0014 0.0019 0.0019
Echinococcus granulosus Protein son of sevenless 0.0021 0.0067 0.0206
Entamoeba histolytica hypothetical protein 0.0043 0.0227 1
Brugia malayi N-terminal motif family protein 0.0596 0.413 0.413
Echinococcus granulosus segment polarity protein dishevelled 0.0029 0.0127 0.0389
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0013 0.001 0.0015
Onchocerca volvulus 0.0023 0.0079 0.0191
Mycobacterium ulcerans polyketide synthase Pks9 0.0016 0.0032 0.1335
Brugia malayi Isocitrate dehydrogenase 0.0048 0.0255 0.0255
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0024 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0021 0.0067 0.0067
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0013 0.001 0.001
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0013 0.001 0.0015
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0048 0.0255 1
Brugia malayi TAR-binding protein 0.0473 0.326 0.326
Loa Loa (eye worm) hypothetical protein 0.0596 0.413 0.413
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0016 0.0032 0.1335
Echinococcus multilocularis son of sevenless 1 0.0021 0.0067 0.0206
Echinococcus multilocularis regulator of G protein signaling 7 0.0029 0.0127 0.0389
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0013 0.001 0.0188
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0024 0.009 0.4857
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0013 0.001 0.0015
Loa Loa (eye worm) RNA binding protein 0.0473 0.326 0.326
Trypanosoma cruzi hypothetical protein 0.0021 0.0067 0.2319
Brugia malayi regulator of G-protein signaling egl-10 0.0029 0.0127 0.0127
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.01 0.0146
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Trichomonas vaginalis ras GTP exchange factor, putative 0.0021 0.0067 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0013 0.001 0.0188
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0255 0.0784
Echinococcus multilocularis ras GTP exchange factor 0.0021 0.0067 0.0206
Loa Loa (eye worm) RasGEF domain-containing protein 0.0021 0.0067 0.0067
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0088 0.0088
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0036 0.0174 0.6693
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.009 0.3251
Schistosoma mansoni dishevelled 0.0029 0.0127 0.0186
Brugia malayi DIX domain containing protein 0.0029 0.0127 0.0127
Mycobacterium ulcerans thioesterase 0.002 0.0062 0.3124
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0013 0.001 0.0032
Echinococcus granulosus cGMP dependent protein kinase 1 0.0013 0.001 0.0032
Brugia malayi MH2 domain containing protein 0.0025 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0205 0.1366 0.2005
Loa Loa (eye worm) hypothetical protein 0.0029 0.0127 0.0127
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0013 0.001 0.0032
Echinococcus granulosus GPCR family 2 0.0451 0.3109 0.9538
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0013 0.001 0.0032
Brugia malayi MH1 domain containing protein 0.0014 0.0019 0.0019
Brugia malayi latrophilin 2 splice variant baaae 0.0975 0.681 0.681
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0013 0.001 0.0032
Schistosoma mansoni dep domain containing protein 0.0029 0.0127 0.0186
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0013 0.001 0.0015
Onchocerca volvulus 0.0029 0.0127 0.0307
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0029 0.0127 0.0307
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0013 0.001 0.0015
Schistosoma mansoni hypothetical protein 0.0205 0.1366 0.2005
Onchocerca volvulus Fatty acid synthase homolog 0.0044 0.0227 0.055
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.001 0.0015
Schistosoma mansoni smad1 5 8 and 0.0025 0.01 0.0146
Schistosoma mansoni hypothetical protein 0.0451 0.3109 0.4565
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0013 0.001 0.001
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0255 1
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0013 0.001 0.0188
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.01 0.0306
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0048 0.0255 1
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.001 0.0015
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0029 0.0127 0.0186
Echinococcus granulosus regulator of G protein signaling 7 0.0029 0.0127 0.0389
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0451 0.3109 0.9538
Treponema pallidum catabolite gene activator (Crp) 0.0013 0.001 0.5
Echinococcus granulosus Smad4 0.0025 0.01 0.0306
Echinococcus granulosus smad 0.0025 0.01 0.0306
Schistosoma mansoni hypothetical protein 0.0451 0.3109 0.4565
Schistosoma mansoni hypothetical protein 0.0451 0.3109 0.4565
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.01 0.01
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.001 0.0032
Brugia malayi hypothetical protein 0.0029 0.0127 0.0127
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.001 0.0032
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0036 0.0174 0.6693
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0013 0.001 0.0188
Loa Loa (eye worm) hypothetical protein 0.0029 0.0127 0.0127
Echinococcus multilocularis Protein son of sevenless 0.0021 0.0067 0.0206
Schistosoma mansoni hypothetical protein 0.0043 0.0227 0.0333
Loa Loa (eye worm) RasGEF domain-containing protein 0.0021 0.0067 0.0067
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1426 1 1
Brugia malayi Smad1 0.0025 0.01 0.01
Brugia malayi RasGEF domain containing protein 0.0021 0.0067 0.0067
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0021 0.0067 1
Brugia malayi RasGEF domain containing protein 0.0021 0.0067 0.0067
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0021 0.0067 0.0206
Loa Loa (eye worm) AGC/PKG protein kinase 0.0013 0.001 0.001
Brugia malayi N-terminal motif family protein 0.0021 0.0067 0.0067
Schistosoma mansoni tar DNA-binding protein 0.0473 0.326 0.4786
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0021 0.0067 0.0206
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0227 0.0333
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0013 0.001 0.0032
Loa Loa (eye worm) hypothetical protein 0.0975 0.681 0.681
Brugia malayi MH2 domain containing protein 0.0025 0.01 0.01
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0021 0.0067 0.0099
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0255 1
Mycobacterium ulcerans thioesterase TesA 0.002 0.0062 0.3124
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0013 0.001 0.0032
Loa Loa (eye worm) hypothetical protein 0.0451 0.3109 0.3109
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0023 0.0085 0.3038
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0023 0.0085 0.3038
Onchocerca volvulus 0.0042 0.0216 0.0524
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0021 0.0067 0.0099
Brugia malayi Latrophilin receptor protein 2 0.0451 0.3109 0.3109
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0473 0.326 0.326
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0021 0.0067 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0024 0.009 0.4857
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.001 0.0015
Loa Loa (eye worm) DIX domain-containing protein 0.0029 0.0127 0.0127
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0101 0.5503
Echinococcus multilocularis regulator of G protein signaling 7 0.0029 0.0127 0.0389
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0013 0.001 0.001
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0016 0.0248
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.001
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0101 0.3683
Brugia malayi hypothetical protein 0.0029 0.0127 0.0127
Echinococcus multilocularis smad 0.0025 0.01 0.0306
Schistosoma mansoni hypothetical protein 0.0451 0.3109 0.4565
Echinococcus granulosus voltage gated potassium channel 0.0013 0.001 0.0032
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0021 0.0067 0.0099
Schistosoma mansoni tar DNA-binding protein 0.0473 0.326 0.4786
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0013 0.001 0.0032
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0013 0.001 0.0015
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0101 0.5503
Brugia malayi Calcitonin receptor-like protein seb-1 0.1426 1 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0019 0.0057 0.2826
Schistosoma mansoni tar DNA-binding protein 0.0473 0.326 0.4786
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0013 0.001 0.0032
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0029 0.0127 0.0127
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0021 0.0067 0.0163
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0013 0.001 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.01 0.0306
Schistosoma mansoni smad1 5 8 and 0.0025 0.01 0.0146
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0013 0.001 0.0015
Echinococcus granulosus hyperpolarization activated cyclic 0.0013 0.001 0.0032
Mycobacterium ulcerans polyketide synthase 0.0026 0.0101 0.5503
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0451 0.3109 0.9538
Brugia malayi N-terminal motif family protein 0.0021 0.0067 0.0067
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0013 0.001 0.0032
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0013 0.001 0.0015
Echinococcus granulosus son of sevenless 1 0.0021 0.0067 0.0206
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0013 0.001 0.0015
Loa Loa (eye worm) latrophilin receptor protein 2 0.0451 0.3109 0.3109
Schistosoma mansoni ras GTP exchange factor 0.0021 0.0067 0.0099
Schistosoma mansoni Smad4 0.0025 0.01 0.0146
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0013 0.001 0.0015
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0046 0.0243 0.0243
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0227 0.0695
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0029 0.0127 0.0127
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.001 0.0015
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0021 0.0067 0.0206
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0013 0.001 0.0188

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.1735 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) 10.4179 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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