Detailed information for compound 1295155

Basic information

Technical information
  • TDR Targets ID: 1295155
  • Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimi din-5-yl]-N-butyl-5-nitrofuran-2-carboxamide
  • MW: 393.394 | Formula: C17H23N5O6
  • H donors: 2 H acceptors: 5 LogP: 2.11 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)c1ccc(o1)[N+](=O)[O-]
  • InChi: 1S/C17H23N5O6/c1-4-5-8-20(16(24)11-6-7-12(28-11)22(26)27)13-14(18)21(9-10(2)3)17(25)19-15(13)23/h6-7,10H,4-5,8-9,18H2,1-3H3,(H,19,23,25)
  • InChiKey: PWCIKWXAJQGMDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-5-nitro-furan-2-carboxamide
  • N-(6-amino-1-isobutyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-5-nitro-2-furancarboxamide
  • N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-5-nitro-2-furamide
  • N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-pyrimidin-5-yl]-N-butyl-5-nitro-furan-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Caenorhabditis elegans Protein GLD-1 Starlite/ChEMBL No references
Caenorhabditis elegans Protein MEX-5 Starlite/ChEMBL No references
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Protein Rev Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Caenorhabditis elegans Protein POS-1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania infantum calpain-like cysteine peptidase Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma congolense calpain, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei gambiense calpain-like cysteine peptidase, putative,antigen, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Brugia malayi tumor suppressor. Get druggable targets OG5_170288 All targets in OG5_170288
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania donovani calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei hypothetical protein Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania braziliensis calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania infantum calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma cruzi calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei gambiense calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei gambiense Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like protein, putative Get druggable targets OG5_130635 All targets in OG5_130635
Loa Loa (eye worm) tumor suppressor Get druggable targets OG5_170288 All targets in OG5_170288
Leishmania infantum cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma congolense cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei calpain-like cysteine peptidase, putative Get druggable targets OG5_130635 All targets in OG5_130635
Leishmania mexicana calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative Get druggable targets OG5_130635 All targets in OG5_130635
Trypanosoma brucei variant surface glycoprotein (VSG), putative Get druggable targets OG5_130635 All targets in OG5_130635
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania donovani hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Leishmania infantum hypothetical protein, conserved Protein Rev   116 aa 95 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0043 0.0714 0.0649
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0984 0.0922
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0132 0.2746 0.2746
Loa Loa (eye worm) hypothetical protein 0.0068 0.1279 0.122
Schistosoma mansoni protein kinase 0.0316 0.697 0.697
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1137 0.0786
Trypanosoma brucei calpain, putative 0.0135 0.2819 1
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1137 0.1077
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0132 0.2746 0.9656
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0714 0.1768
Schistosoma mansoni voltage-gated potassium channel 0.0086 0.1683 0.1683
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0078 0.1517 0.1461
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.1884 0.1884
Brugia malayi hypothetical protein 0.0033 0.0471 0.0401
Loa Loa (eye worm) hypothetical protein 0.0182 0.3906 0.3876
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0134 0.2783 0.3931
Schistosoma mansoni rap gtpase-activating protein 0.0132 0.2746 0.2746
Trypanosoma brucei calpain-like protein, putative 0.0135 0.2819 1
Echinococcus granulosus protein quaking 0.0033 0.047 0.0402
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0446 0.9963 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.1399 1
Onchocerca volvulus 0.0132 0.2746 0.6367
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0714 0.0714
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0714 0.0931
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1884 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.1884 0.5
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0134 0.2783 0.3931
Loa Loa (eye worm) hypothetical protein 0.0043 0.0714 0.0649
Brugia malayi Temporarily assigned gene name protein 44 0.0033 0.0471 0.0401
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0714 0.4839
Loa Loa (eye worm) hypothetical protein 0.0043 0.0714 0.0649
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0238 0.0238
Brugia malayi beta-lactamase family protein 0.0043 0.0714 0.0647
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1884 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0073 0.1399 1
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0132 0.2746 0.2746
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0132 0.2746 0.9656
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.0714 0.1768
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0714 0.4839
Echinococcus granulosus Vam6:Vps39 protein 0.0132 0.2746 0.2704
Loa Loa (eye worm) hypothetical protein 0.0043 0.0714 0.0649
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0023 0.0238 0.024
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0135 0.2819 1
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0134 0.2783 0.2741
Brugia malayi hypothetical protein 0.0132 0.2746 0.2693
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.1884 0.2627
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0016 0.0072 0.0072
Brugia malayi tumor suppressor. 0.0388 0.8633 0.8623
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0134 0.2783 0.2741
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.2783 0.2783
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0984 0.0984
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0984 0.1322
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0714 0.0714
Echinococcus granulosus protein kinase 0.0316 0.697 0.6974
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0078 0.1517 0.1455
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0984 0.0919
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0984 0.1322
Schistosoma mansoni hypothetical protein 0.0033 0.047 0.047
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1884 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Echinococcus multilocularis protein quaking 0.0033 0.047 0.0577
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0984 0.0922
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0714 0.0649
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0984 0.0984
Brugia malayi Temporarily assigned gene name protein 59 0.0132 0.2746 0.2693
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0016 0.0072 0.0072
Schistosoma mansoni vam6/vps39 related 0.0132 0.2746 0.2746
Onchocerca volvulus 0.0182 0.3906 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0134 0.2783 0.3931
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.1884 1
Brugia malayi beta-lactamase 0.0043 0.0714 0.0647
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1884 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0714 0.4839
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0134 0.2783 0.2741
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0023 0.0238 0.0167
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0714 0.0647
Echinococcus multilocularis voltage gated potassium channel 0.0023 0.0238 0.024
Trichomonas vaginalis esterase, putative 0.0043 0.0714 0.4839
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0132 0.2746 0.3877
Loa Loa (eye worm) hypothetical protein 0.0446 0.9963 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.2746 0.2704
Echinococcus granulosus hypothetical protein 0.0033 0.047 0.0402
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0023 0.0238 0.0167
Loa Loa (eye worm) beta-lactamase 0.0043 0.0714 0.0649
Brugia malayi hypothetical protein 0.0182 0.3906 0.3861
Schistosoma mansoni voltage-gated potassium channel 0.0086 0.1683 0.1683
Schistosoma mansoni hypothetical protein 0.0033 0.047 0.047
Echinococcus multilocularis 0.0316 0.697 1
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0132 0.2746 0.9656
Loa Loa (eye worm) tumor suppressor 0.0388 0.8633 0.8655
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1137 0.0786
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0132 0.2746 0.2704
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0316 0.697 0.6974
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0238 0.0238
Schistosoma mansoni protein kinase 0.0134 0.2783 0.2783
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.1884 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0471 0.0403
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.2819 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0714 0.0649
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0714 0.1768
Toxoplasma gondii ABC1 family protein 0.0043 0.0714 0.1768
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.1884 0.1832
Trypanosoma brucei hypothetical protein 0.0135 0.2819 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0714 0.4839
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0016 0.0072 0.0072
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.2819 1
Schistosoma mansoni serine/threonine protein kinase 0.0134 0.2783 0.2783
Brugia malayi Probable ClpP-like protease 0.0094 0.1884 0.1825
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0016 0.0072 0.0072
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.1884 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.1884 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0135 0.2819 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0984 0.0922
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.1884 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0238 0.0167
Loa Loa (eye worm) hypothetical protein 0.0094 0.1884 0.1832
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0135 0.2819 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0078 0.1517 0.2095
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0714 0.4839
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.1884 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0714 0.0649
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0134 0.2783 0.2741
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0072 0.0072
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1137 0.1544
Echinococcus granulosus voltage gated potassium channel 0.0023 0.0238 0.0167
Brugia malayi Protein kinase domain containing protein 0.0134 0.2783 0.2731
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0135 0.2819 1
Brugia malayi beta-lactamase family protein 0.0043 0.0714 0.0647
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0016 0.0072 0.0072
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0135 0.2819 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0714 0.0649
Schistosoma mansoni hypothetical protein 0.0132 0.2746 0.2746
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1137 0.4744
Loa Loa (eye worm) hypothetical protein 0.0132 0.2746 0.2704
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0135 0.2819 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6094 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.2746 0.2704
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0984 0.0984
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0078 0.1517 0.1461

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 16.016 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) = 18.652 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
IC50 (binding) = 2.737 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] ChEMBL. No reference
IC50 (binding) = 7.261 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] ChEMBL. No reference
Potency (functional) = 5.0119 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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) 125.8925 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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