Detailed information for compound 1280043

Basic information

Technical information
  • TDR Targets ID: 1280043
  • Name: propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1 -yl]acetate
  • MW: 350.454 | Formula: C22H26N2O2
  • H donors: 0 H acceptors: 1 LogP: 3.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)CN1CCN(CC1)C1c2ccccc2c2c1cccc2)C
  • InChi: 1S/C22H26N2O2/c1-16(2)26-21(25)15-23-11-13-24(14-12-23)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-10,16,22H,11-15H2,1-2H3
  • InChiKey: LNWUPBXWYOANKB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • isopropyl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate
  • 2-[4-(9H-fluoren-9-yl)-1-piperazinyl]acetic acid isopropyl ester
  • 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetic acid isopropyl ester
  • propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]ethanoate
  • MLS000047425
  • SMR000033436
  • isopropyl [4-(9H-fluoren-9-yl)piperazin-1-yl]acetate
  • ChemDiv2_003446

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
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 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis protein patched 0.0043 0.0031 0.0323
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0057 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0031 0.0323
Schistosoma mansoni hypothetical protein 0.0042 0.0029 0.0617
Schistosoma mansoni high-affinity choline transporter 0.042 0.0381 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0008 0.0024
Loa Loa (eye worm) hypothetical protein 0.0043 0.0031 0.0804
Brugia malayi Cytochrome P450 family protein 0.0017 0.0006 0.0158
Loa Loa (eye worm) hypothetical protein 0.0072 0.0057 0.1503
Mycobacterium ulcerans AcrR family transcriptional regulator 1.074 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0011 0.0139
Mycobacterium ulcerans transcriptional regulator 1.074 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0076 0.1851
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0461 0.042 0.0414
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0051 0.0038 0.0414
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0124 0.3264
Schistosoma mansoni hypothetical protein 0.0042 0.0029 0.0617
Loa Loa (eye worm) hypothetical protein 0.0101 0.0085 0.2217
Echinococcus multilocularis solute carrier family 5 0.0046 0.0033 0.0357
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0035 0.0022 0.0215
Entamoeba histolytica hypothetical protein 0.0037 0.0025 0.1821
Loa Loa (eye worm) hypothetical protein 0.0072 0.0057 0.1503
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.0033 0.0725
Brugia malayi Metabotropic glutamate receptor precursor. 0.0041 0.0029 0.0753
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0046 0.1212
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0173 0.0151 0.3963
Brugia malayi CHE-14 protein 0.0043 0.0031 0.0804
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0057 0.3401
Brugia malayi MH2 domain containing protein 0.0144 0.0124 0.3264
Echinococcus multilocularis protein dispatched 1 0.005 0.0036 0.0398
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0006 0.0158
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0008 0.0206
Loa Loa (eye worm) glutamate receptor 0.0041 0.0029 0.0753
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0057 0.0673
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.0033 0.0357
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.0125 0.1562
Brugia malayi Cytochrome P450 family protein 0.0017 0.0006 0.0158
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.0033 0.0357
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0049
Toxoplasma gondii exonuclease III APE 0.0023 0.0011 0.1021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0076 0.198
Loa Loa (eye worm) hypothetical protein 0.042 0.0381 1
Mycobacterium leprae Probable lipase LipE 0.0072 0.0057 0.0051
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0028 0.0746
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0076 0.1851
Onchocerca volvulus Huntingtin homolog 0.012 0.0102 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.0057 0.0051
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0008 0.0206
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0011 0.1021
Schistosoma mansoni hypothetical protein 0.0205 0.0181 0.4657
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0011 0.0296
Schistosoma mansoni inositol transporter 0.0046 0.0033 0.0725
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0008 0.0206
Onchocerca volvulus Huntingtin homolog 0.012 0.0102 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0057 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0057 1
Schistosoma mansoni hypothetical protein 0.0037 0.0025 0.0495
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0057 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0076 0.1851
Brugia malayi hypothetical protein 0.012 0.0102 0.267
Schistosoma mansoni hypothetical protein 0.0041 0.0028 0.0597
Entamoeba histolytica hypothetical protein 0.0037 0.0025 0.1821
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.0125 0.3172
Schistosoma mansoni metabotropic glutamate receptor 0.002 0.0009 0.0077
Loa Loa (eye worm) hypothetical protein 0.0072 0.0057 0.1503
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0006 0.0158
Mycobacterium tuberculosis Conserved protein 0.0072 0.0057 0.0051
Schistosoma mansoni metabotropic glutamate receptor 0.0035 0.0022 0.0437
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0057 0.0051
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0057 0.1367
Mycobacterium ulcerans lipase LipD 0.0072 0.0057 0.0051
Echinococcus granulosus metabotropic glutamate receptor 2 0.0035 0.0022 0.0437
Loa Loa (eye worm) beta-lactamase 0.0072 0.0057 0.1503
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0057 0.0051
Schistosoma mansoni hypothetical protein 0.0205 0.0181 0.4657
Echinococcus multilocularis high affinity choline transporter 1 0.042 0.0381 0.4925
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0046 0.1212
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0076 0.0912
Loa Loa (eye worm) hypothetical protein 0.012 0.0102 0.267
Brugia malayi hypothetical protein 0.0037 0.0025 0.0646
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0011 0.0296
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0057 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0076 0.1851
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0025 0.0495
Echinococcus granulosus GPCR family 2 0.0019 0.0008 0.0049
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.0033 0.0725
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0057 0.0051
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0049
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0008 0.0024
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0011 0.5
Echinococcus multilocularis expressed conserved protein 0.0095 0.0079 0.0955
Trichomonas vaginalis conserved hypothetical protein 0.0168 0.0147 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0047 0.0034 0.0745
Entamoeba histolytica hypothetical protein 0.0037 0.0025 0.1821
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0057 0.0051
Schistosoma mansoni hypothetical protein 0.0042 0.0029 0.0617
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0031 0.0804
Brugia malayi follicle stimulating hormone receptor 0.0227 0.0201 0.5279
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0057 0.3401
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.0085 0.103
Onchocerca volvulus 0.0072 0.0057 0.3511
Mycobacterium tuberculosis Conserved protein 0.0072 0.0057 0.0051
Onchocerca volvulus 0.0072 0.0057 0.3511
Leishmania major hypothetical protein, conserved 0.0072 0.0057 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0046 0.1212
Onchocerca volvulus 0.0072 0.0057 0.3511
Echinococcus granulosus expressed conserved protein 0.0095 0.0079 0.194
Schistosoma mansoni sodium/solute symporter 0.0046 0.0033 0.0725
Brugia malayi Cytochrome P450 family protein 0.0017 0.0006 0.0158
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0057 0.3401
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0031 0.0655
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0124 0.3264
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 1.074 1 1
Brugia malayi beta-lactamase family protein 0.0072 0.0057 0.1503
Brugia malayi beta-lactamase 0.0072 0.0057 0.1503
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0076 0.0912
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0057 1
Echinococcus granulosus high affinity choline transporter 1 0.042 0.0381 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0057 0.1503
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.0033 0.5307
Loa Loa (eye worm) glutamate receptor 0.0016 0.0005 0.0139
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.0033 0.0725
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0057 0.3401
Schistosoma mansoni hypothetical protein 0.0019 0.0008 0.0049
Entamoeba histolytica hypothetical protein 0.0037 0.0025 0.1821
Toxoplasma gondii ABC1 family protein 0.0072 0.0057 1
Brugia malayi metabotropic glutamate receptor type 2 0.002 0.0009 0.0234
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0008 0.0049
Echinococcus granulosus geminin 0.0205 0.0181 0.4657
Schistosoma mansoni inositol transporter 0.0046 0.0033 0.0725
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0011 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0008 0.0049
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0008 0.0024
Loa Loa (eye worm) hypothetical protein 0.0173 0.0151 0.3963
Loa Loa (eye worm) hypothetical protein 0.0046 0.0033 0.0872
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0057 0.3401
Loa Loa (eye worm) hypothetical protein 0.0072 0.0057 0.1503
Brugia malayi cytochrome P450 0.0017 0.0006 0.0158
Echinococcus multilocularis geminin 0.0205 0.0181 0.2294
Loa Loa (eye worm) hypothetical protein 0.0041 0.0028 0.0746
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0076 0.1851
Loa Loa (eye worm) hypothetical protein 0.0053 0.004 0.1043
Schistosoma mansoni hypothetical protein 0.0042 0.0029 0.0617
Echinococcus granulosus solute carrier family 5 0.0046 0.0033 0.0725
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.0033 0.0725
Loa Loa (eye worm) hypothetical protein 0.0051 0.0038 0.0986
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0031 0.143
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0011 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0057 0.0051
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0011 0.0005
Loa Loa (eye worm) hypothetical protein 0.0072 0.0057 0.1503
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0011 0.1021
Echinococcus granulosus metabotropic glutamate receptor 5 0.0051 0.0038 0.0841
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0006 0.0158
Mycobacterium ulcerans hypothetical protein 0.0072 0.0057 0.0051
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0011 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0011 0.0139
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.0086 0.2131
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0835 0.0768 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0057 0.0051
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0206
Brugia malayi Sodium:solute symporter family protein 0.0046 0.0033 0.0872
Loa Loa (eye worm) cytochrome P450 0.0017 0.0006 0.0158
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0057 0.1367
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.0085 1
Trichomonas vaginalis esterase, putative 0.0072 0.0057 0.3401
Mycobacterium ulcerans TetR family transcriptional regulator 1.074 1 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.0085 0.2217
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0038 0.0025 0.0657
Loa Loa (eye worm) hypothetical protein 0.0072 0.0057 0.1503
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.0201 0.5279
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0025 0.0495
Brugia malayi beta-lactamase family protein 0.0072 0.0057 0.1503
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.0033 0.0357
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0057 0.0051
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0011 0.1021
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0031 0.0655
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0057 0.0051
Loa Loa (eye worm) hypothetical protein 0.006 0.0046 0.1212
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0057 0.1367
Brugia malayi GH02984p 0.042 0.0381 1
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.0085 0.2092
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0076 0.198
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0025 0.0244
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0057 0.1503
Schistosoma mansoni patched 1 0.0043 0.0031 0.0655
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0011 0.0069
Brugia malayi Cytochrome P450 family protein 0.0063 0.0049 0.1285
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.0049 0.1285
Loa Loa (eye worm) hypothetical protein 0.012 0.0102 0.267
Mycobacterium ulcerans beta-lactamase 0.0072 0.0057 0.0051
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0011 0.0005
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0011 0.1021
Schistosoma mansoni ap endonuclease 0.0023 0.0011 0.0139

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 0.251188643 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
AC50 (functional) = 7.079457844 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) = 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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 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
IC50 (functional) 10.74076811 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 5.1735 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
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) 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.

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