Detailed information for compound 1547214

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.867 | Formula: C22H21ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)[C@H]1[C@H](CO2)[C@@H]([C@]2(N1C(=O)[C@H](C)NC2=O)C)c1ccccc1
  • InChi: 1S/C22H21ClN2O3/c1-12-20(26)25-19-15-10-14(23)8-9-17(15)28-11-16(19)18(13-6-4-3-5-7-13)22(25,2)21(27)24-12/h3-10,12,16,18-19H,11H2,1-2H3,(H,24,27)/t12-,16+,18-,19-,22+/m0/s1
  • InChiKey: WNZKWXYRQWXNNJ-UDGGQOSUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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 %
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
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0381 0.0805
Schistosoma mansoni inositol monophosphatase 0.0083 0.0689 0.1455
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.6079
Echinococcus granulosus tumor protein p63 0.0357 0.3537 0.7178
Echinococcus multilocularis protein kinase c iota type 0.0125 0.1123 0.1123
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0073 0.0587 0.0587
Schistosoma mansoni serine/threonine protein kinase 0.0472 0.4733 1
Brugia malayi Inositol-1 0.0083 0.0689 0.1726
Schistosoma mansoni rac gtpase activating protein 0.0052 0.0365 0.077
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0053 0.0381 0.0986
Schistosoma mansoni unc-13 (munc13) 0.0062 0.0476 0.1006
Echinococcus granulosus neuropeptide s receptor 0.0491 0.4927 1
Echinococcus multilocularis importin subunit beta 1 0.0034 0.0185 0.0185
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0026 0.0066
Echinococcus multilocularis protein kinase c epsilon type 0.0135 0.1235 0.1235
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.021 0.0426
Mycobacterium tuberculosis Conserved protein 0.0037 0.021 0.0635
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0446 0.5186
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.007 0.0177
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Schistosoma mansoni unc-13 (munc13) 0.0062 0.0476 0.1006
Schistosoma mansoni serine/threonine kinase 0.0073 0.0587 0.124
Loa Loa (eye worm) hypothetical protein 0.0034 0.0185 0.0479
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0026 0.0053
Echinococcus multilocularis dna polymerase eta 0.0023 0.007 0.007
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.021 0.0635
Loa Loa (eye worm) hypothetical protein 0.006 0.0454 0.1174
Brugia malayi Protein kinase c protein 2 0.0401 0.3991 1
Onchocerca volvulus 0.0062 0.0476 1
Echinococcus multilocularis neuropeptide receptor A26 0.0491 0.4927 0.4927
Brugia malayi diacylglycerol kinase 0.0052 0.0365 0.0914
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0349 0.3455 0.8943
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0052 0.0365 0.0944
Brugia malayi beta-lactamase family protein 0.0037 0.021 0.0526
Brugia malayi Pleckstrin Homology Domain 0.0052 0.0365 0.0914
Mycobacterium tuberculosis Conserved protein 0.0037 0.021 0.0635
Onchocerca volvulus 0.0052 0.0365 0.5815
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.033 0.0698
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0052 0.0365 0.0365
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0073 0.0587 0.1519
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Brugia malayi RhoGEF domain containing protein 0.0052 0.0365 0.0914
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Echinococcus multilocularis RNA directed DNA polymerase 0.0337 0.3327 0.3327
Echinococcus granulosus protein kinase C gamma type 0.0421 0.4197 0.8517
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0367 0.3637 0.9416
Echinococcus granulosus unc 13 munc13 0.0062 0.0476 0.0966
Loa Loa (eye worm) hypothetical protein 0.0052 0.0371 0.0961
Echinococcus multilocularis protein kinase c eta type 0.0052 0.0365 0.0365
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.021 0.0635
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.033 0.0698
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.033 0.033
Leishmania major importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Loa Loa (eye worm) inositol-1 0.0083 0.0689 0.1783
Schistosoma mansoni inositol monophosphatase 0.0083 0.0689 0.1455
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.033 0.0828
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0446 0.0943
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Echinococcus multilocularis Diacylglycerol kinase theta 0.0052 0.0365 0.0365
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0071 0.057 0.8087
Entamoeba histolytica diacylglycerol kinase, putative 0.0052 0.0365 0.4758
Schistosoma mansoni serine/threonine protein kinase 0.0135 0.1235 0.2608
Echinococcus granulosus Protein kinase C brain isozyme 0.0472 0.4733 0.9605
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.021 0.2254
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Loa Loa (eye worm) RasGEF domain-containing protein 0.0052 0.0365 0.0944
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.033 0.0855
Brugia malayi beta-lactamase 0.0037 0.021 0.0526
Echinococcus granulosus protein kinase c iota type 0.0125 0.1123 0.2279
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.021 0.0443
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.021 0.2254
Loa Loa (eye worm) beta-lactamase 0.0037 0.021 0.0543
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Echinococcus multilocularis snurportin 1 0.0367 0.3637 0.3637
Loa Loa (eye worm) hypothetical protein 0.0073 0.0587 0.1519
Toxoplasma gondii AGC kinase 0.0073 0.0587 0.7976
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.021 0.0635
Loa Loa (eye worm) AGC/NDR protein kinase 0.0073 0.0587 0.1519
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0073 0.0587 0.1519
Toxoplasma gondii diacylglycerol kinase, putative 0.0052 0.0365 0.3564
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.021 0.2254
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0073 0.0587 0.1519
Schistosoma mansoni importin beta-1 0.0034 0.0185 0.0391
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0135 0.1235 0.3196
Brugia malayi Ras association domain family 1 isoform A 0.0052 0.0365 0.0914
Echinococcus multilocularis Rac GTPase activating protein 1 0.0052 0.0365 0.0365
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.6079
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0052 0.0365 0.0944
Echinococcus multilocularis inositol monophosphatase 1 0.0083 0.0689 0.0689
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0073 0.0587 0.0587
Brugia malayi MH2 domain containing protein 0.0242 0.2347 0.5881
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0185 0.1856
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0053 0.0381 0.0381
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0454 0.1137
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0073 0.0587 0.1191
Brugia malayi beta-lactamase family protein 0.0037 0.021 0.0526
Echinococcus multilocularis raf serine:threonine protein kinase 0.0052 0.0365 0.0365
Echinococcus multilocularis serine threonine protein kinase 0.0421 0.4197 0.4197
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.021 0.2254
Echinococcus multilocularis dna polymerase kappa 0.0023 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Schistosoma mansoni hypothetical protein 0.0041 0.0256 0.0541
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0062 0.0476 0.0476
Brugia malayi RNA, U transporter 1 0.0098 0.0843 0.2112
Brugia malayi Protein kinase domain containing protein 0.0073 0.0587 0.147
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0053 0.0381 0.0955
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0053 0.0381 0.0773
Schistosoma mansoni protein kinase C 0.0062 0.0476 0.1006
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.007 0.0149
Brugia malayi protein kinase C3,putative 0.0053 0.0381 0.0955
Echinococcus multilocularis serine:threonine protein kinase N2 0.0073 0.0587 0.0587
Schistosoma mansoni diacylglycerol kinase theta 0.0052 0.0365 0.077
Schistosoma mansoni DNA polymerase eta 0.0023 0.007 0.0149
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.007 0.0182
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0052 0.0365 0.0944
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.021 0.021
Schistosoma mansoni protein kinase C mu 0.0052 0.0365 0.077
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) AGC/PKN protein kinase 0.0073 0.0587 0.1519
Trypanosoma brucei rac serine-threonine kinase, putative 0.0073 0.0587 0.8352
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.021 0.0635
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0062 0.0476 0.0966
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0118 0.0764
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.021 0.2254
Loa Loa (eye worm) hypothetical protein 0.0388 0.3863 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.2347 0.6076
Mycobacterium ulcerans hypothetical protein 0.0037 0.021 0.2254
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0073 0.0587 0.0587
Mycobacterium tuberculosis Conserved protein 0.0037 0.021 0.0635
Echinococcus multilocularis N chimaerin 0.0052 0.0365 0.0365
Schistosoma mansoni vav2 0.0052 0.0365 0.077
Toxoplasma gondii ABC1 family protein 0.0037 0.021 0.049
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0083 0.0689 1
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.021 0.0635
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.007 0.007
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0365 0.077
Brugia malayi C1-like domain containing protein 0.0053 0.0381 0.0955
Onchocerca volvulus 0.0052 0.0365 0.5815
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0052 0.0365 0.077
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0256 0.0641
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Loa Loa (eye worm) hypothetical protein 0.0041 0.0256 0.0662
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Echinococcus granulosus inositol monophosphatase 1 0.0083 0.0689 0.1398
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.021 0.0526
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0604 0.0604
Leishmania major hypothetical protein, conserved 0.0037 0.021 0.2254
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Mycobacterium ulcerans lipase LipD 0.0037 0.021 0.2254
Brugia malayi RhoGAP domain containing protein 0.0052 0.0365 0.0914
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0073 0.0587 0.1519
Brugia malayi diacylglycerol kinase 0.0052 0.0365 0.0914
Schistosoma mansoni hypothetical protein 0.0381 0.3785 0.7997
Echinococcus granulosus raf serine:threonine protein kinase 0.0052 0.0365 0.074
Loa Loa (eye worm) hypothetical protein 0.0062 0.0476 0.1232
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Echinococcus granulosus importin subunit beta 1 0.0034 0.0185 0.0376
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0083 0.0689 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0083 0.0689 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0083 0.0689 1
Echinococcus granulosus geminin 0.0381 0.3785 0.7681
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0083 0.0689 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0454 0.1174
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0604 0.1277
Schistosoma mansoni hypothetical protein 0.0367 0.3637 0.7685
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.007 0.0149
Onchocerca volvulus 0.0052 0.0371 0.6062
Echinococcus granulosus RNA directed DNA polymerase 0.0337 0.3327 0.6752
Echinococcus multilocularis geminin 0.0381 0.3785 0.3785
Loa Loa (eye worm) hypothetical protein 0.0023 0.007 0.0182
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0074 0.0599 0.2406
Schistosoma mansoni serine/threonine protein kinase 0.0472 0.4733 1
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Echinococcus multilocularis serine:threonine protein kinase 38 0.0073 0.0587 0.0587
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0446 0.0446
Echinococcus granulosus snurportin 1 0.0367 0.3637 0.7382
Echinococcus granulosus dna polymerase eta 0.0023 0.007 0.0143
Schistosoma mansoni protein kinase C mu 0.0053 0.0381 0.0805
Echinococcus granulosus NDR protein kinase 0.0073 0.0587 0.1191
Loa Loa (eye worm) raf kinase 0.0052 0.0365 0.0944
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Brugia malayi p70 ribosomal S6 kinase beta 0.0073 0.0587 0.147
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Schistosoma mansoni diacylglycerol kinase theta 0.0052 0.0365 0.077
Echinococcus granulosus myotubularin protein 13 0.0052 0.0365 0.074
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.2347 0.6076
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0068
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0073 0.0587 0.1191
Brugia malayi Variant SH3 domain containing protein 0.0052 0.0365 0.0914
Brugia malayi hypothetical protein 0.0075 0.0604 0.1515
Entamoeba histolytica hypothetical protein 0.0052 0.0365 0.4758
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0074 0.0599 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0073 0.0587 0.1191
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0446 0.0943
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.033 0.033
Brugia malayi Importin beta-1 subunit 0.0034 0.0185 0.0464
Echinococcus granulosus N chimaerin 0.0052 0.0365 0.074
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.007 0.0177
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0118 0.0764
Loa Loa (eye worm) hypothetical protein 0.0037 0.021 0.0543
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0604 0.1227
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0026 0.0068
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0053 0.0381 0.0986
Echinococcus granulosus neuropeptide receptor A26 0.0491 0.4927 1
Echinococcus granulosus Diacylglycerol kinase theta 0.0052 0.0365 0.074
Loa Loa (eye worm) AGC/AKT protein kinase 0.0073 0.0587 0.1519
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0337 0.3327 0.3327
Echinococcus granulosus protein kinase c eta type 0.0052 0.0365 0.074
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0083 0.0689 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0083 0.0689 1
Brugia malayi Protein kinase domain containing protein 0.0073 0.0587 0.147
Schistosoma mansoni hypothetical protein 0.0381 0.3785 0.7997
Brugia malayi RhoGAP domain containing protein 0.0052 0.0365 0.0914
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Echinococcus multilocularis unc 13 (munc13) 0.0062 0.0476 0.0476
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0446 0.6079
Entamoeba histolytica hypothetical protein 0.0028 0.0118 0.0764
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.021 0.0635
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.033 0.0671
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0446 0.1712
Plasmodium falciparum importin beta, putative 0.0034 0.0185 0.5
Echinococcus multilocularis myotubularin protein 13 0.0052 0.0365 0.0365
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0052 0.0365 0.077
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.021 0.2254
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0381 0.0805
Trichomonas vaginalis inositol monophosphatase, putative 0.0083 0.0689 1
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0371 0.0784
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.021 0.0443
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.007 0.0143
Echinococcus granulosus dna polymerase kappa 0.0023 0.007 0.0143
Entamoeba histolytica hypothetical protein 0.0075 0.0604 0.8636
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0073 0.0587 0.1191
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.033 0.0671
Brugia malayi protein kinase C II. 0.0135 0.1235 0.3093
Echinococcus granulosus GPCR family 2 0.0019 0.0026 0.0053
Brugia malayi Protein kinase domain containing protein 0.0053 0.0381 0.0955
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0446 0.0906
Brugia malayi Hr1 repeat family protein 0.0073 0.0587 0.147
Echinococcus multilocularis tumor protein p63 0.0357 0.3537 0.3537
Entamoeba histolytica diacylglycerol kinase, putative 0.0052 0.0365 0.4758
Giardia lamblia DINP protein human, muc B family 0.0023 0.007 0.5
Schistosoma mansoni hypothetical protein 0.0075 0.0604 0.1277
Entamoeba histolytica protein kinase, putative 0.0073 0.0587 0.8352
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.2266 1
Schistosoma mansoni hypothetical protein 0.0019 0.0026 0.0055
Trichomonas vaginalis esterase, putative 0.0037 0.021 0.2254
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.021 0.0635
Echinococcus granulosus Rac GTPase activating protein 1 0.0052 0.0365 0.074
Plasmodium vivax hypothetical protein, conserved 0.0037 0.021 1
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.021 0.2254
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0052 0.0365 0.074
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.021 0.2254
Loa Loa (eye worm) hypothetical protein 0.0337 0.3327 0.8612
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0472 0.4733 0.4733
Trichomonas vaginalis AGC family protein kinase 0.0073 0.0587 0.8352
Mycobacterium ulcerans beta-lactamase 0.0037 0.021 0.2254
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.021 0.2254
Schistosoma mansoni hypothetical protein 0.0052 0.0365 0.077
Echinococcus multilocularis GPCR, family 2 0.0019 0.0026 0.0026
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0446 0.6079
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.021 0.2254
Echinococcus granulosus protein kinase c epsilon type 0.0135 0.1235 0.2505
Echinococcus multilocularis serine:threonine protein kinase N2 0.0073 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Schistosoma mansoni atypical protein kinase C 0.0125 0.1123 0.2373
Echinococcus multilocularis neuropeptide s receptor 0.0491 0.4927 0.4927
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0587 0.124
Brugia malayi Protein kinase domain containing protein 0.0073 0.0587 0.147
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0026 0.0053
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0052 0.0365 0.0944
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0026 0.0026
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0026 0.0066
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.021 0.0543
Trypanosoma brucei importin beta-1 subunit, putative 0.0034 0.0185 0.1856
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0454 0.1137

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.