Detailed information for compound 1479931

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 438.946 | Formula: C25H27ClN2O3
  • H donors: 0 H acceptors: 2 LogP: 4.21 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN1CC(=O)N2[C@](C1=O)(C)[C@@H](c1ccccc1)[C@@H]1[C@@H]2c2cc(Cl)ccc2OC1
  • InChi: 1S/C25H27ClN2O3/c1-3-4-12-27-14-21(29)28-23-18-13-17(26)10-11-20(18)31-15-19(23)22(25(28,2)24(27)30)16-8-6-5-7-9-16/h5-11,13,19,22-23H,3-4,12,14-15H2,1-2H3/t19-,22+,23+,25-/m1/s1
  • InChiKey: YZESGUZDBLYBGW-HXNUEKDGSA-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 ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0073 0.0587 0.1519
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0083 0.0689 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.021 0.0526
Schistosoma mansoni unc-13 (munc13) 0.0062 0.0476 0.1006
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.021 0.2254
Echinococcus granulosus protein kinase c iota type 0.0125 0.1123 0.2279
Echinococcus granulosus unc 13 munc13 0.0062 0.0476 0.0966
Plasmodium vivax hypothetical protein, conserved 0.0037 0.021 1
Onchocerca volvulus 0.0052 0.0365 0.5815
Schistosoma mansoni atypical protein kinase C 0.0125 0.1123 0.2373
Schistosoma mansoni diacylglycerol kinase theta 0.0052 0.0365 0.077
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0185 0.0185
Brugia malayi Ras association domain family 1 isoform A 0.0052 0.0365 0.0914
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0071 0.057 0.8087
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0053 0.0381 0.0381
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.021 0.0635
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.033 0.0855
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0604 0.1227
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0446 0.6079
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.6079
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.021 0.021
Schistosoma mansoni serine/threonine kinase 0.0073 0.0587 0.124
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.021 0.0635
Echinococcus granulosus GPCR family 2 0.0019 0.0026 0.0053
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0073 0.0587 0.0587
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0026 0.0053
Echinococcus granulosus dna polymerase eta 0.0023 0.007 0.0143
Echinococcus granulosus geminin 0.0381 0.3785 0.7681
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.007 0.0149
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0083 0.0689 1
Echinococcus multilocularis protein kinase c eta type 0.0052 0.0365 0.0365
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0026 0.0026
Leishmania major hypothetical protein, conserved 0.0037 0.021 0.2254
Loa Loa (eye worm) AGC/AKT protein kinase 0.0073 0.0587 0.1519
Brugia malayi Protein kinase domain containing protein 0.0073 0.0587 0.147
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0041 0.0256 0.0541
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0367 0.3637 0.9416
Echinococcus granulosus Protein kinase C brain isozyme 0.0472 0.4733 0.9605
Brugia malayi RhoGAP domain containing protein 0.0052 0.0365 0.0914
Loa Loa (eye worm) hypothetical protein 0.0388 0.3863 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Echinococcus multilocularis inositol monophosphatase 1 0.0083 0.0689 0.0689
Brugia malayi Variant SH3 domain containing protein 0.0052 0.0365 0.0914
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0454 0.1137
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0053 0.0381 0.0986
Schistosoma mansoni hypothetical protein 0.0075 0.0604 0.1277
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0185 0.1856
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Plasmodium falciparum importin beta, putative 0.0034 0.0185 0.5
Schistosoma mansoni importin beta-1 0.0034 0.0185 0.0391
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.021 0.0443
Schistosoma mansoni serine/threonine protein kinase 0.0135 0.1235 0.2608
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0052 0.0365 0.074
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0052 0.0365 0.077
Mycobacterium tuberculosis Conserved protein 0.0037 0.021 0.0635
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Brugia malayi RhoGAP domain containing protein 0.0052 0.0365 0.0914
Echinococcus granulosus RNA directed DNA polymerase 0.0337 0.3327 0.6752
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0256 0.0641
Brugia malayi Inositol-1 0.0083 0.0689 0.1726
Loa Loa (eye worm) RasGEF domain-containing protein 0.0052 0.0365 0.0944
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0454 0.1137
Brugia malayi Protein kinase domain containing protein 0.0073 0.0587 0.147
Echinococcus multilocularis dna polymerase eta 0.0023 0.007 0.007
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0446 0.0906
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.021 0.2254
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0062 0.0476 0.0476
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.033 0.0671
Brugia malayi Hr1 repeat family protein 0.0073 0.0587 0.147
Schistosoma mansoni DNA polymerase eta 0.0023 0.007 0.0149
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0073 0.0587 0.1519
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Toxoplasma gondii diacylglycerol kinase, putative 0.0052 0.0365 0.3564
Echinococcus granulosus NDR protein kinase 0.0073 0.0587 0.1191
Schistosoma mansoni serine/threonine protein kinase 0.0472 0.4733 1
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0052 0.0365 0.0365
Echinococcus multilocularis Rac GTPase activating protein 1 0.0052 0.0365 0.0365
Brugia malayi Protein kinase domain containing protein 0.0053 0.0381 0.0955
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.007 0.0149
Schistosoma mansoni vav2 0.0052 0.0365 0.077
Echinococcus granulosus protein kinase c eta type 0.0052 0.0365 0.074
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Mycobacterium ulcerans beta-lactamase 0.0037 0.021 0.2254
Toxoplasma gondii ABC1 family protein 0.0037 0.021 0.049
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Trichomonas vaginalis esterase, putative 0.0037 0.021 0.2254
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0074 0.0599 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0083 0.0689 1
Echinococcus granulosus protein kinase C gamma type 0.0421 0.4197 0.8517
Trichomonas vaginalis inositol monophosphatase, putative 0.0083 0.0689 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0185 0.1856
Entamoeba histolytica hypothetical protein 0.0028 0.0118 0.0764
Schistosoma mansoni hypothetical protein 0.0381 0.3785 0.7997
Entamoeba histolytica diacylglycerol kinase, putative 0.0052 0.0365 0.4758
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0446 0.5186
Echinococcus granulosus tumor protein p63 0.0357 0.3537 0.7178
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0026 0.0066
Echinococcus multilocularis unc 13 (munc13) 0.0062 0.0476 0.0476
Brugia malayi p70 ribosomal S6 kinase beta 0.0073 0.0587 0.147
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0026 0.0053
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0068
Echinococcus multilocularis protein kinase c iota type 0.0125 0.1123 0.1123
Loa Loa (eye worm) AGC/NDR protein kinase 0.0073 0.0587 0.1519
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.021 0.0635
Echinococcus multilocularis RNA directed DNA polymerase 0.0337 0.3327 0.3327
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.033 0.0698
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Leishmania major importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Brugia malayi beta-lactamase family protein 0.0037 0.021 0.0526
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0083 0.0689 1
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Echinococcus granulosus N chimaerin 0.0052 0.0365 0.074
Brugia malayi Pleckstrin Homology Domain 0.0052 0.0365 0.0914
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0053 0.0381 0.0955
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0073 0.0587 0.1519
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.021 0.0635
Echinococcus multilocularis snurportin 1 0.0367 0.3637 0.3637
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.033 0.0698
Echinococcus multilocularis neuropeptide s receptor 0.0491 0.4927 0.4927
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.021 0.2254
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Brugia malayi protein kinase C3,putative 0.0053 0.0381 0.0955
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0026 0.0066
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.021 0.2254
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0073 0.0587 0.0587
Schistosoma mansoni rac gtpase activating protein 0.0052 0.0365 0.077
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.007 0.0177
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0446 0.1712
Schistosoma mansoni hypothetical protein 0.0367 0.3637 0.7685
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.021 0.2254
Mycobacterium tuberculosis Conserved protein 0.0037 0.021 0.0635
Loa Loa (eye worm) hypothetical protein 0.0062 0.0476 0.1232
Echinococcus granulosus neuropeptide s receptor 0.0491 0.4927 1
Entamoeba histolytica diacylglycerol kinase, putative 0.0052 0.0365 0.4758
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.021 0.0543
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Brugia malayi RhoGEF domain containing protein 0.0052 0.0365 0.0914
Echinococcus granulosus snurportin 1 0.0367 0.3637 0.7382
Schistosoma mansoni unc-13 (munc13) 0.0062 0.0476 0.1006
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.2266 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.6079
Echinococcus granulosus dna polymerase kappa 0.0023 0.007 0.0143
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.021 0.0635
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.033 0.0671
Echinococcus multilocularis N chimaerin 0.0052 0.0365 0.0365
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Echinococcus multilocularis serine:threonine protein kinase N2 0.0073 0.0587 0.0587
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.021 0.0443
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0026 0.0068
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0604 0.0604
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0073 0.0587 0.1519
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0446 0.0446
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0365 0.077
Loa Loa (eye worm) hypothetical protein 0.0337 0.3327 0.8612
Mycobacterium ulcerans lipase LipD 0.0037 0.021 0.2254
Schistosoma mansoni diacylglycerol kinase theta 0.0052 0.0365 0.077
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.021 0.2254
Echinococcus granulosus importin subunit beta 1 0.0034 0.0185 0.0376
Echinococcus multilocularis protein kinase c epsilon type 0.0135 0.1235 0.1235
Loa Loa (eye worm) hypothetical protein 0.0052 0.0371 0.0961
Brugia malayi Protein kinase domain containing protein 0.0073 0.0587 0.147
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0052 0.0365 0.0944
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0052 0.0365 0.077
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.007 0.0182
Echinococcus granulosus raf serine:threonine protein kinase 0.0052 0.0365 0.074
Echinococcus granulosus myotubularin protein 13 0.0052 0.0365 0.074
Echinococcus granulosus Diacylglycerol kinase theta 0.0052 0.0365 0.074
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0074 0.0599 0.2406
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Echinococcus multilocularis neuropeptide receptor A26 0.0491 0.4927 0.4927
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0446 0.0943
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0073 0.0587 0.1191
Echinococcus multilocularis serine:threonine protein kinase N2 0.0073 0.0587 0.0587
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.007 0.0177
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0135 0.1235 0.3196
Brugia malayi protein kinase C II. 0.0135 0.1235 0.3093
Loa Loa (eye worm) hypothetical protein 0.006 0.0454 0.1174
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.021 0.2254
Mycobacterium tuberculosis Conserved protein 0.0037 0.021 0.0635
Echinococcus multilocularis GPCR, family 2 0.0019 0.0026 0.0026
Brugia malayi MH2 domain containing protein 0.0242 0.2347 0.5881
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.6079
Onchocerca volvulus 0.0062 0.0476 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0454 0.1174
Loa Loa (eye worm) hypothetical protein 0.0023 0.007 0.0182
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0118 0.0764
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0073 0.0587 0.1191
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Giardia lamblia DINP protein human, muc B family 0.0023 0.007 0.5
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0073 0.0587 0.1519
Onchocerca volvulus 0.0052 0.0365 0.5815
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0381 0.0805
Brugia malayi Importin beta-1 subunit 0.0034 0.0185 0.0464
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0052 0.0365 0.0944
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Brugia malayi diacylglycerol kinase 0.0052 0.0365 0.0914
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.2347 0.6076
Brugia malayi Protein kinase c protein 2 0.0401 0.3991 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0349 0.3455 0.8943
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Mycobacterium ulcerans hypothetical protein 0.0037 0.021 0.2254
Schistosoma mansoni serine/threonine protein kinase 0.0472 0.4733 1
Brugia malayi beta-lactamase family protein 0.0037 0.021 0.0526
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0073 0.0587 0.1191
Schistosoma mansoni hypothetical protein 0.0052 0.0365 0.077
Schistosoma mansoni protein kinase C mu 0.0053 0.0381 0.0805
Schistosoma mansoni inositol monophosphatase 0.0083 0.0689 0.1455
Entamoeba histolytica hypothetical protein 0.0052 0.0365 0.4758
Schistosoma mansoni hypothetical protein 0.0381 0.3785 0.7997
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0371 0.0784
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Trypanosoma brucei rac serine-threonine kinase, putative 0.0073 0.0587 0.8352
Echinococcus granulosus protein kinase c epsilon type 0.0135 0.1235 0.2505
Brugia malayi beta-lactamase 0.0037 0.021 0.0526
Brugia malayi RNA, U transporter 1 0.0098 0.0843 0.2112
Brugia malayi C1-like domain containing protein 0.0053 0.0381 0.0955
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Brugia malayi diacylglycerol kinase 0.0052 0.0365 0.0914
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.021 0.2254
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0052 0.0365 0.0944
Toxoplasma gondii AGC kinase 0.0073 0.0587 0.7976
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0053 0.0381 0.0773
Loa Loa (eye worm) AGC/PKN protein kinase 0.0073 0.0587 0.1519
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0604 0.1277
Echinococcus multilocularis myotubularin protein 13 0.0052 0.0365 0.0365
Onchocerca volvulus 0.0052 0.0371 0.6062
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.007 0.0143
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0083 0.0689 0.5
Schistosoma mansoni protein kinase C 0.0062 0.0476 0.1006
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.2347 0.6076
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.021 0.2254
Echinococcus granulosus serine:threonine protein kinase N2 0.0073 0.0587 0.1191
Loa Loa (eye worm) hypothetical protein 0.0034 0.0185 0.0479
Loa Loa (eye worm) inositol-1 0.0083 0.0689 0.1783
Brugia malayi hypothetical protein 0.0075 0.0604 0.1515
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Loa Loa (eye worm) hypothetical protein 0.0041 0.0256 0.0662
Echinococcus granulosus neuropeptide receptor A26 0.0491 0.4927 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.021 0.0635
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Echinococcus multilocularis raf serine:threonine protein kinase 0.0052 0.0365 0.0365
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Loa Loa (eye worm) beta-lactamase 0.0037 0.021 0.0543
Schistosoma mansoni protein kinase C mu 0.0052 0.0365 0.077
Echinococcus multilocularis serine:threonine protein kinase 38 0.0073 0.0587 0.0587
Echinococcus multilocularis serine threonine protein kinase 0.0421 0.4197 0.4197
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.033 0.033
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0337 0.3327 0.3327
Loa Loa (eye worm) raf kinase 0.0052 0.0365 0.0944
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.021 0.0426
Schistosoma mansoni inositol monophosphatase 0.0083 0.0689 0.1455
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0062 0.0476 0.0966
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.033 0.033
Echinococcus granulosus inositol monophosphatase 1 0.0083 0.0689 0.1398
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.021 0.2254
Echinococcus multilocularis geminin 0.0381 0.3785 0.3785
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0073 0.0587 0.0587
Echinococcus granulosus Rac GTPase activating protein 1 0.0052 0.0365 0.074
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0446 0.0943
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0381 0.0805
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.021 0.0635
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.033 0.0828
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Echinococcus multilocularis tumor protein p63 0.0357 0.3537 0.3537
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0472 0.4733 0.4733
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0083 0.0689 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0053 0.0381 0.0986
Echinococcus multilocularis Diacylglycerol kinase theta 0.0052 0.0365 0.0365
Echinococcus multilocularis dna polymerase kappa 0.0023 0.007 0.007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.033 0.0698

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.9362 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) 4.6535 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 of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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