Detailed information for compound 1073460

Basic information

Technical information
  • TDR Targets ID: 1073460
  • Name: 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3 -phenylpropanoic acid
  • MW: 378.378 | Formula: C21H18N2O5
  • H donors: 3 H acceptors: 4 LogP: 3.57 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(NC(=O)c1ccccc1NC(=O)c1ccco1)Cc1ccccc1
  • InChi: 1S/C21H18N2O5/c24-19(23-17(21(26)27)13-14-7-2-1-3-8-14)15-9-4-5-10-16(15)22-20(25)18-11-6-12-28-18/h1-12,17H,13H2,(H,22,25)(H,23,24)(H,26,27)
  • InChiKey: UCRLHEGXDVZBKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenyl-propanoic acid
  • 2-[[[2-[(2-furyl-oxomethyl)amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid
  • 2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenyl-propionic acid
  • 2-[[2-(furan-2-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid
  • TULIP003776
  • Oprea1_174102
  • Oprea1_314176

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0032 0.0069 0.0069
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.0055 0.0011
Toxoplasma gondii hypothetical protein 0.0059 0.0262 0.2571
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0348 0.0929
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0095 0.0523 1
Brugia malayi Bromodomain containing protein 0.0078 0.04 0.102
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0095 0.0523 0.2221
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0032 0.0069 0.0069
Entamoeba histolytica kinesin, putative 0.0052 0.0215 0.2218
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0032 0.0069 0.0073
Loa Loa (eye worm) hypothetical protein 0.0032 0.0068 0.0047
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0291 0.0291
Echinococcus multilocularis peregrin 0.0098 0.0541 0.0541
Trichomonas vaginalis penicillin-binding protein, putative 0.0143 0.087 0.2419
Trichomonas vaginalis D-aminoacylase, putative 0.0143 0.087 0.2419
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0348 0.0929
Onchocerca volvulus 0.0142 0.0857 0.1718
Echinococcus granulosus lamin dm0 0.0142 0.0857 0.0857
Brugia malayi Smad1 0.0035 0.0092 0.0139
Echinococcus granulosus Smad4 0.0035 0.0092 0.0092
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.03 0.1998 0.1998
Loa Loa (eye worm) hypothetical protein 0.0143 0.087 0.2343
Brugia malayi AF-10 protein 0.003 0.0055 0.0033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0095 0.0523 0.1372
Echinococcus multilocularis PHD finger protein rhinoceros 0.0092 0.0498 0.0498
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0287 0.0975
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0191 0.0578
Echinococcus multilocularis kinesin family 1 0.0402 0.2732 0.2732
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0307 0.2044 0.5718
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0244 0.0631
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0143 0.087 0.2363
Brugia malayi cytoplasmic intermediate filament protein 0.0076 0.0385 0.0976
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0383 0.1029
Schistosoma mansoni hypothetical protein 0.021 0.1347 0.5716
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Loa Loa (eye worm) phosphatidylinositol 3 0.0032 0.0069 0.0048
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.0651 0.2761
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0248 0.0643
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0065 0.0304 0.3077
Giardia lamblia PHD finger protein 15 0.0092 0.0498 0.9369
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0095 0.0523 0.1955
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0076 0.0384 0.1377
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0032 0.0072 0.0305
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0032 0.0069 0.0292
Brugia malayi Pre-SET motif family protein 0.0065 0.0304 0.0745
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0055 0.0033
Leishmania major hypothetical protein, conserved 0.0143 0.087 0.3394
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0248 0.0814
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0208 0.0648
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0069 0.0131
Trichomonas vaginalis esterase, putative 0.0143 0.087 0.2419
Schistosoma mansoni jumonji domain containing protein 0.0238 0.1554 0.6596
Echinococcus granulosus beta LACTamase domain containing family member 0.0143 0.087 0.087
Schistosoma mansoni smad 0.0035 0.0092 0.0389
Trypanosoma cruzi target of rapamycin kinase 3 0.0076 0.0384 0.1377
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0916 0.6424 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0052 0.0215 0.1993
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0092 0.0092
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.03 0.1998 0.1998
Plasmodium vivax hypothetical protein, conserved 0.003 0.0055 0.0033
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.0537 0.0537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0209 0.0531
Loa Loa (eye worm) hypothetical protein 0.0097 0.0537 0.1389
Echinococcus multilocularis musashi 0.0142 0.0857 0.0857
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.0052 0.0052
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0031 0.0066 0.0066
Brugia malayi beta-lactamase 0.0143 0.087 0.2363
Schistosoma mansoni phd/f-box containing protein 0.003 0.0052 0.0221
Echinococcus multilocularis lamin dm0 0.0142 0.0857 0.0857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0208 0.0648
Onchocerca volvulus 0.0143 0.087 0.1758
Onchocerca volvulus 0.0142 0.0857 0.1718
Loa Loa (eye worm) hypothetical protein 0.0046 0.0169 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0523 0.1429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0383 0.1029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0208 0.0529
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0287 0.0975
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0095 0.0523 0.1955
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0032 0.0069 0.0069
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0095 0.0523 0.0523
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0143 0.087 0.3693
Echinococcus multilocularis smad 0.0035 0.0092 0.0092
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0068 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0143 0.087 0.2343
Brugia malayi beta-lactamase family protein 0.0143 0.087 0.2363
Schistosoma mansoni hypothetical protein 0.0097 0.0537 0.2279
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.0537 0.1389
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0287 0.0975
Schistosoma mansoni phosphatidylserine receptor 0.003 0.0052 0.0221
Onchocerca volvulus 0.0207 0.1327 0.3175
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0348 0.0929
Loa Loa (eye worm) Smad1 0.0035 0.0092 0.0114
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0076 0.0384 0.1377
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0068 0.033 0.033
Brugia malayi PHD-finger family protein 0.0092 0.0498 0.1301
Loa Loa (eye worm) kinesin-like protein KLP2 0.0052 0.0215 0.0467
Brugia malayi Intermediate filament tail domain containing protein 0.0142 0.0857 0.2326
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0095 0.0095
Schistosoma mansoni hypothetical protein 0.0097 0.0537 0.2279
Onchocerca volvulus 0.0143 0.087 0.1758
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Onchocerca volvulus Alhambra homolog 0.0092 0.0498 0.0604
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0383 0.1029
Echinococcus multilocularis lysine specific demethylase 5A 0.0111 0.0637 0.0637
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0208 0.0648
Echinococcus granulosus peregrin 0.0098 0.0541 0.0541
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0092 0.0114
Plasmodium falciparum phd finger protein, putative 0.0092 0.0498 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0425 0.1805
Schistosoma mansoni kinesin eg-5 0.0052 0.0215 0.0913
Echinococcus multilocularis lamin 0.0142 0.0857 0.0857
Giardia lamblia Kinesin-5 0.0052 0.0215 0.2218
Toxoplasma gondii ABC1 family protein 0.0143 0.087 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0287 0.0287
Leishmania major cathepsin L-like protease 0.0062 0.0287 0.0975
Echinococcus multilocularis GPCR, family 2 0.0097 0.0537 0.0537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0069 0.0131
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0095 0.0523 0.1955
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2462 1
Echinococcus granulosus jumonji domain containing 1A 0.003 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0066 0.0312 0.0744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0348 0.0929
Echinococcus granulosus histone acetyltransferase KAT2B 0.0144 0.0877 0.0877
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.0537 0.0537
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0065 0.0304 0.1289
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0095 0.0523 0.1955
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.2462 1
Brugia malayi MH1 domain containing protein 0.0035 0.0092 0.0139
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.017 0.0421
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0383 0.1029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0523 0.1429
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.0537 0.0537
Brugia malayi acetyltransferase, GNAT family protein 0.0151 0.0924 0.2518
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0425 0.1805
Toxoplasma gondii target of rapamycin (TOR), putative 0.0071 0.0348 0.3619
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0031 0.0066 0.0066
Brugia malayi Latrophilin receptor protein 2 0.0097 0.0537 0.1411
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0287 0.0975
Brugia malayi jmjC domain containing protein 0.003 0.0052 0.0026
Loa Loa (eye worm) hypothetical protein 0.0038 0.0113 0.0174
Schistosoma mansoni bromodomain containing protein 0.0066 0.0317 0.1344
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0304 0.1289
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0143 0.087 0.2343
Brugia malayi PHD-finger family protein 0.0032 0.0068 0.0072
Brugia malayi jmjC domain containing protein 0.003 0.0052 0.0026
Schistosoma mansoni hypothetical protein 0.0097 0.0537 0.2279
Loa Loa (eye worm) jmjC domain-containing protein 0.0189 0.12 0.3288
Schistosoma mansoni protein phosphatase 2C 0.003 0.0052 0.0221
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.0651 0.2761
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.2462 1
Loa Loa (eye worm) hypothetical protein 0.021 0.1347 0.3708
Brugia malayi jmjC domain containing protein 0.0113 0.0651 0.1736
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.003 0.0055 0.0033
Loa Loa (eye worm) hypothetical protein 0.0066 0.0312 0.0744
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.2462 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0143 0.087 0.2419
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0092 0.0092
Echinococcus multilocularis zinc finger protein 0.0023 0.0005 0.0005
Brugia malayi Pre-SET motif family protein 0.045 0.3077 0.8669
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0092 0.0389
Loa Loa (eye worm) MH2 domain-containing protein 0.0515 0.3543 1
Trichomonas vaginalis D-aminoacylase, putative 0.0143 0.087 0.2419
Brugia malayi MH2 domain containing protein 0.0515 0.3543 1
Echinococcus granulosus smad 0.0035 0.0092 0.0092
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0289 0.0982
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.0052 0.0052
Brugia malayi F/Y-rich N-terminus family protein 0.0034 0.0085 0.0121
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0032 0.0069 0.0069
Schistosoma mansoni jumonji domain containing protein 0.003 0.0052 0.0221
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0095 0.0523 0.0523
Loa Loa (eye worm) hypothetical protein 0.0044 0.0156 0.0297
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.004 0.0123 0.0296
Echinococcus granulosus kinesin family 1 0.0402 0.2732 0.2732
Brugia malayi Bromodomain containing protein 0.0098 0.0541 0.1424
Loa Loa (eye worm) hypothetical protein 0.0307 0.2044 0.5707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0348 0.0929
Loa Loa (eye worm) hypothetical protein 0.0157 0.0969 0.2627
Trichomonas vaginalis set domain proteins, putative 0.0512 0.3525 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0143 0.087 0.3693
Echinococcus granulosus lamin 0.0142 0.0857 0.0857
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0208 0.0529
Trichomonas vaginalis PIKK family atypical protein kinase 0.0076 0.0383 0.1029
Mycobacterium ulcerans hypothetical protein 0.0192 0.1221 1
Loa Loa (eye worm) transcription factor SMAD2 0.0515 0.3543 1
Brugia malayi latrophilin 2 splice variant baaae 0.021 0.1347 0.3724
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1081 0.4268
Loa Loa (eye worm) hypothetical protein 0.0143 0.087 0.2343
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0076 0.0385 0.0953
Loa Loa (eye worm) hypothetical protein 0.0142 0.0857 0.2306
Schistosoma mansoni smad1 5 8 and 0.0035 0.0092 0.0389
Loa Loa (eye worm) intermediate filament protein 0.0142 0.0857 0.2306
Schistosoma mansoni Smad4 0.0035 0.0092 0.0389
Loa Loa (eye worm) hypothetical protein 0.0207 0.1327 0.3651
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0348 0.0929
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.017 0.1445
Schistosoma mansoni hypothetical protein 0.003 0.0055 0.0232
Echinococcus granulosus zinc finger protein 0.0023 0.0005 0.0005
Brugia malayi Bromodomain containing protein 0.0042 0.0138 0.0273
Brugia malayi MH2 domain containing protein 0.0035 0.0092 0.0139
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Leishmania major cathepsin L-like protease 0.0062 0.0287 0.0975
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0208 0.0648
Schistosoma mansoni smad1 5 8 and 0.0035 0.0092 0.0389
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0092 0.0092
Leishmania major phosphatidylinositol 3-kinase, putative 0.0032 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.007 0.0343 0.0835
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0095 0.0523 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0095 0.0523 0.135
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0032 0.0069 0.0069
Brugia malayi jmjC domain containing protein 0.003 0.0052 0.0026
Plasmodium vivax kinesin-5 0.0052 0.0215 0.1993
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.0052 0.0221
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0032 0.0069 0.0069
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.017 0.0421
Onchocerca volvulus 0.0512 0.3525 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0045 0.0163 0.046
Loa Loa (eye worm) hypothetical protein 0.0092 0.0498 0.1278
Giardia lamblia GTOR 0.0095 0.0523 1
Trichomonas vaginalis D-aminoacylase, putative 0.0143 0.087 0.2419
Loa Loa (eye worm) hypothetical protein 0.0143 0.087 0.2343
Brugia malayi beta-lactamase family protein 0.0143 0.087 0.2363
Loa Loa (eye worm) hypothetical protein 0.0143 0.087 0.2343
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0348 0.0929
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0092 0.0114
Echinococcus multilocularis beta LACTamase domain containing family member 0.0143 0.087 0.087
Echinococcus granulosus histone lysine methyltransferase setb 0.0081 0.0425 0.0425
Plasmodium falciparum kinesin-5 0.0052 0.0215 0.3653
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0307 0.2044 0.5707
Loa Loa (eye worm) hypothetical protein 0.0143 0.087 0.2343
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0069 0.0131
Loa Loa (eye worm) acetyltransferase 0.0151 0.0924 0.2498
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.0052 0.0052
Onchocerca volvulus 0.0143 0.087 0.1758
Plasmodium vivax hypothetical protein, conserved 0.0143 0.087 1
Brugia malayi jmjC domain containing protein 0.03 0.1998 0.5585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.0244 0.0631
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0092 0.0498 0.2115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0208 0.0529
Loa Loa (eye worm) hypothetical protein 0.0068 0.033 0.0798
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1221 0.0632
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.003 0.0055 0.006
Loa Loa (eye worm) jmjC domain-containing protein 0.0113 0.0651 0.1715
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0291 0.0291
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0209 0.0531
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0095 0.0095
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.0537 0.1411
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0069 0.0131
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1081 0.4268
Schistosoma mansoni smad1 5 8 and 0.0035 0.0092 0.0389
Plasmodium vivax hypothetical protein, conserved 0.0092 0.0498 0.5456
Schistosoma mansoni zinc finger protein 0.0023 0.0005 0.0021
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0032 0.0069 0.0069
Schistosoma mansoni hypothetical protein 0.035 0.2356 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0498 0.5456
Trichomonas vaginalis PIKK family atypical protein kinase 0.0062 0.0283 0.0744
Loa Loa (eye worm) hypothetical protein 0.0139 0.0838 0.2253
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0151 0.0924 0.3923
Trypanosoma brucei hypothetical protein, conserved 0.0143 0.087 0.3394
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0095 0.0523 0.1955
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0092 0.0498 0.2115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0298 0.0786
Brugia malayi MH2 domain containing protein 0.0035 0.0092 0.0139
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0151 0.0924 0.0924
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0069 0.0131
Echinococcus granulosus GPCR family 2 0.0097 0.0537 0.0537
Schistosoma mansoni lamin 0.0142 0.0857 0.3638
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.0055 0.0011
Echinococcus granulosus jumonji domain containing protein 0.0128 0.0756 0.0756
Loa Loa (eye worm) hypothetical protein 0.0081 0.0425 0.1069
Brugia malayi Calcitonin receptor-like protein seb-1 0.0307 0.2044 0.5718
Leishmania major cathepsin L-like protease 0.0062 0.0287 0.0975
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0248 0.0643
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.045 0.3077 0.8666
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0209 0.0531
Trypanosoma cruzi hypothetical protein, conserved 0.0143 0.087 0.3394
Plasmodium vivax SET domain protein, putative 0.0065 0.0304 0.3077
Brugia malayi Kinesin motor domain containing protein 0.0052 0.0215 0.0491
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1081 0.4268
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.017 0.1445
Echinococcus multilocularis Smad4 0.0035 0.0092 0.0092
Echinococcus granulosus PHD finger protein rhinoceros 0.0092 0.0498 0.0498
Schistosoma mansoni hypothetical protein 0.0097 0.0537 0.2279
Mycobacterium leprae Probable lipase LipE 0.0143 0.087 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0143 0.087 0.3394
Echinococcus multilocularis phd:f box containing protein 0.003 0.0052 0.0052
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.017 0.1445
Brugia malayi intermediate filament protein 0.0142 0.0857 0.2326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0209 0.0531
Echinococcus granulosus lysine specific demethylase 5A 0.0113 0.0651 0.0651
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.0052 0.0052
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.0537 0.0537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0095 0.0523 0.1429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0423 0.1144
Loa Loa (eye worm) PHD-finger family protein 0.0092 0.0498 0.1278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0057 0.0248 0.0643
Echinococcus granulosus intermediate filament protein 0.0142 0.0857 0.0857
Mycobacterium leprae conserved hypothetical protein 0.0143 0.087 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0207 0.1327 0.5631
Schistosoma mansoni intermediate filament proteins 0.0142 0.0857 0.3638
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0498 0.5456
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Brugia malayi MH1 domain containing protein 0.0035 0.0092 0.0139
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.017 0.017
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0065 0.0304 0.0304
Brugia malayi jmjC domain containing protein 0.003 0.0052 0.0026
Echinococcus granulosus phd:f box containing protein 0.003 0.0052 0.0052
Loa Loa (eye worm) beta-lactamase 0.0143 0.087 0.2343
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0081 0.0425 0.0425
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0287 0.0975
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0095 0.0523 0.1955
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.0052 0.0052
Schistosoma mansoni lamin 0.0142 0.0857 0.3638
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0142 0.0857 0.2306
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0127 0.1685
Echinococcus multilocularis jumonji domain containing protein 0.0128 0.0756 0.0756

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 24 % Displacement of [125I]-CCK8 from CCK1 receptor in rat pancreatic acinar cells at 3 uM ChEMBL. 19523833
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.