Detailed information for compound 1435244

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.502 | Formula: C22H24N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.53 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCO/C(=C/1\C(=NC(=C(C1c1ccc(cc1)C)C#N)SCC(=O)OCC)C)/O
  • InChi: 1S/C22H24N2O4S/c1-5-11-28-22(26)19-15(4)24-21(29-13-18(25)27-6-2)17(12-23)20(19)16-9-7-14(3)8-10-16/h5,7-10,20,26H,1,6,11,13H2,2-4H3/b22-19+
  • InChiKey: QTFLOPFQHBSKCJ-ZBJSNUHESA-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 cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0111 0.0283
Toxoplasma gondii RNA-directed DNA polymerase 0.0363 0.2551 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0045 0.0216
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.048 0.5
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0045 0.0164
Echinococcus multilocularis dna polymerase eta 0.0077 0.0348 0.0503
Brugia malayi beta-lactamase family protein 0.0038 0.0045 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0267 0.037
Schistosoma mansoni hypothetical protein 0.0041 0.0069 0.0048
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0052
Echinococcus multilocularis muscleblind protein 0.0151 0.0916 0.1429
Plasmodium vivax telomerase reverse transcriptase, putative 0.0363 0.2551 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0272 0.2644
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0045 0.0008
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0045 0.0052
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.048 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.048 0.5016
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0045 0.0646
Giardia lamblia Telomerase catalytic subunit 0.0363 0.2551 1
Leishmania major hypothetical protein, conserved 0.0038 0.0045 0.0018
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Echinococcus granulosus dna polymerase kappa 0.0047 0.0111 0.0116
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0267 0.2587
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0267 0.0317
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0229 0.0308
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.0111 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0052
Echinococcus granulosus tar DNA binding protein 0.0067 0.0267 0.037
Mycobacterium ulcerans beta-lactamase 0.0038 0.0045 0.0105
Leishmania major DNA polymerase kappa, putative 0.0047 0.0111 0.0283
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0363 0.2551 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.0111 0.0116
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0216 0.2007
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0101 0.0241
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0045 0.0646
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0101 0.0384
Plasmodium falciparum telomerase reverse transcriptase 0.0363 0.2551 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0045 0.0006
Echinococcus multilocularis dna polymerase kappa 0.0047 0.0111 0.0116
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0045 0.0008
Trypanosoma brucei unspecified product 0.0047 0.0111 0.0437
Mycobacterium tuberculosis Conserved protein 0.0038 0.0045 0.0216
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0045 0.0646
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0216 0.0246
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0069 0.0041
Leishmania major DNA polymerase eta, putative 0.0045 0.0101 0.0241
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0229 0.0308
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.1621 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.0348 0.1227
Loa Loa (eye worm) beta-lactamase 0.0038 0.0045 0.0052
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.0111 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.0111 1
Echinococcus granulosus dna polymerase eta 0.0077 0.0348 0.0503
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0267 0.037
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.048 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0052
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0267 0.037
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.4053 0.6546
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.0111 0.0116
Toxoplasma gondii ABC1 family protein 0.0038 0.0045 0.0164
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.0229 0.4744
Brugia malayi beta-lactamase 0.0038 0.0045 0.0006
Echinococcus granulosus muscleblind protein 0.0151 0.0916 0.1429
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.048 0.0717
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0052
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0267 0.037
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0045 0.0105
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.4053 0.6546
Echinococcus granulosus microtubule associated protein 2 0.0833 0.617 1
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0111 0.0437
Echinococcus granulosus neuropeptide s receptor 0.0558 0.4053 0.6546
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0045 0.0018
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.004 0.0158
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0045 0.0877
Brugia malayi Cytochrome P450 family protein 0.0067 0.0272 0.0324
Leishmania major telomerase reverse transcriptase, putative 0.0363 0.2551 1
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.0111 0.0099
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0045 0.0216
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0267 0.037
Brugia malayi Muscleblind-like protein 0.0151 0.0916 0.1224
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.001 0.0148
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0267 0.2587
Brugia malayi Probable ClpP-like protease 0.0094 0.048 0.0614
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0111 0.0283
Trypanosoma brucei telomerase reverse transcriptase 0.0363 0.2551 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.048 0.1871
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0229 0.136
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.0111 0.0629
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0216 0.0246
Brugia malayi RNA binding protein 0.0067 0.0267 0.0317
Schistosoma mansoni DNA polymerase eta 0.0077 0.0348 0.0503
Mycobacterium ulcerans hypothetical protein 0.0038 0.0045 0.0105
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0045 0.0216
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0045 0.0105
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.048 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0045 0.0216
Loa Loa (eye worm) hypothetical protein 0.006 0.0216 0.2007
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.048 0.0717
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.048 0.1871
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0111 0.0437
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.0111 0.0812
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0045 0.0176
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0045 0.0216
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0229 0.136
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0045 0.0008
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.0111 0.0629
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.0111 0.0116
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.004 0.0146
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.0111 0.1619
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0348 0.043
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.0348 0.1365
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0267 0.037
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.048 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.0111 0.0283
Leishmania major DNA polymerase eta, putative 0.0077 0.0348 0.1227
Loa Loa (eye worm) RNA binding protein 0.0067 0.0267 0.2587
Mycobacterium tuberculosis Conserved protein 0.0038 0.0045 0.0216
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0111 0.0283
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0052
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0045 0.0646
Mycobacterium leprae Probable lipase LipE 0.0038 0.0045 0.0877
Echinococcus multilocularis muscleblind protein 1 0.0151 0.0916 0.1429
Mycobacterium tuberculosis Conserved protein 0.0038 0.0045 0.0216
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.0111 0.1619
Loa Loa (eye worm) hypothetical protein 0.0041 0.0069 0.0332
Brugia malayi TAR-binding protein 0.0067 0.0267 0.0317
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.0111 0.0283
Trichomonas vaginalis esterase, putative 0.0038 0.0045 0.0646
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.048 0.0717
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.048 0.1871
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0363 0.2551 1
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0045 0.0216
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.0111 0.0437
Brugia malayi Telomerase reverse transcriptase 0.0967 0.7201 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Brugia malayi beta-lactamase family protein 0.0038 0.0045 0.0006
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.048 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.617 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0052
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.617 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0045 0.0018
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.4053 0.6546
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0045 0.0646
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.048 0.1871
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0111 0.0437
Loa Loa (eye worm) hypothetical protein 0.0077 0.0348 0.3516
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.048 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0045 0.0216
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0045 0.0008
Loa Loa (eye worm) hypothetical protein 0.0151 0.0916 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.0111 0.0116
Mycobacterium ulcerans lipase LipD 0.0038 0.0045 0.0105

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 2.238721139 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.818382931 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.943282347 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 14.12537545 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.2592 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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