Detailed information for compound 1352654

Basic information

Technical information
  • TDR Targets ID: 1352654
  • Name: [1-[(5-chloro-2-hydroxyphenyl)methyl]piperidi n-4-yl]-(4-ethylpiperazin-1-yl)methanone; oxa lic acid
  • MW: 455.932 | Formula: C21H30ClN3O6
  • H donors: 3 H acceptors: 6 LogP: -2.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.CCN1CCN(CC1)C(=O)C1CCN(CC1)Cc1cc(Cl)ccc1O
  • InChi: 1S/C19H28ClN3O2.C2H2O4/c1-2-21-9-11-23(12-10-21)19(25)15-5-7-22(8-6-15)14-16-13-17(20)3-4-18(16)24;3-1(4)2(5)6/h3-4,13,15,24H,2,5-12,14H2,1H3;(H,3,4)(H,5,6)
  • InChiKey: ZSEKLHDOKUWOJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [1-[(5-chloro-2-hydroxy-phenyl)methyl]-4-piperidyl]-(4-ethylpiperazin-1-yl)methanone; oxalic acid
  • [1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidinyl]-(4-ethyl-1-piperazinyl)methanone; oxalic acid
  • [1-(5-chloro-2-hydroxy-benzyl)-4-piperidyl]-(4-ethylpiperazin-1-yl)methanone; oxalic acid
  • [1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone; ethanedioic acid
  • MLS000067265
  • SMR000124771
  • [1-(5-Chloro-2-hydroxy-benzyl)-piperidin-4-yl]-(4-ethyl-piperazin-1-yl)-methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0249 0.2625 1
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0007
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0262 0.0068
Brugia malayi Telomerase reverse transcriptase 0.0663 0.7229 1
Brugia malayi PHD-finger family protein 0.0035 0.0246 0.034
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.4282 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1137 0.2545
Echinococcus granulosus dnaJ subfamily B 0.0398 0.4282 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0043 0.0162
Trichomonas vaginalis set domain proteins, putative 0.0287 0.3043 1
Brugia malayi Matrixin family protein 0.0017 0.0043 0.0059
Schistosoma mansoni mixed-lineage leukemia protein mll 0.002 0.0074 0.0026
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0524 0.0725
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0246 0.0433
Loa Loa (eye worm) matrixin family protein 0.0111 0.109 0.4103
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0663 0.2495
Loa Loa (eye worm) hypothetical protein 0.0019 0.0066 0.0249
Echinococcus granulosus geminin 0.0205 0.2131 0.49
Schistosoma mansoni cpg binding protein 0.0028 0.0165 0.0242
Loa Loa (eye worm) hypothetical protein 0.006 0.0524 0.1972
Giardia lamblia PHD finger protein 15 0.0035 0.0246 0.0713
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0063 0.0087
Loa Loa (eye worm) jmjC domain-containing protein 0.0044 0.0346 0.1302
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0246 0.0926
Schistosoma mansoni hypothetical protein 0.0205 0.2131 0.49
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0349 0.0679
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0021 0.0084 0.0345
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0262 0.0471
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0246 0.0932
Onchocerca volvulus Matrilysin homolog 0.0108 0.1052 0.1014
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.067 1
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0087 0.0823 0.18
Schistosoma mansoni hypothetical protein 0.0041 0.0312 0.059
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0063 0.0238
Brugia malayi Matrixin family protein 0.0111 0.109 0.1508
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0262 0.0471
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.067 0.1438
Schistosoma mansoni cpg binding protein 0.003 0.0183 0.0284
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0066 0.0007
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0063 0.0238
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0262 0.0471
Echinococcus granulosus cpg binding protein 0.003 0.0183 0.0284
Brugia malayi jmjC domain containing protein 0.0044 0.0346 0.0479
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0926
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0262 0.0471
Loa Loa (eye worm) hypothetical protein 0.006 0.0526 0.1979
Echinococcus multilocularis peregrin 0.0035 0.0246 0.0433
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0349 0.0679
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.067 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.067 0.1438
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0241 0.042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0349 0.0679
Schistosoma mansoni hypothetical protein 0.0205 0.2131 0.49
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0066 0.0092
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0246 0.0433
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.067 0.1438
Trypanosoma brucei telomerase reverse transcriptase 0.0249 0.2625 1
Onchocerca volvulus Alhambra homolog 0.0035 0.0246 0.0204
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0349 0.0679
Loa Loa (eye worm) matrixin family protein 0.0038 0.0273 0.1027
Loa Loa (eye worm) hypothetical protein 0.0041 0.0312 0.1175
Loa Loa (eye worm) hypothetical protein 0.0087 0.0823 0.3096
Brugia malayi CXXC zinc finger family protein 0.0028 0.0165 0.0228
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0349 0.1315
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0021 0.0084 0.0116
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.067 0.2368
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0066 0.0249
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0066 0.0007
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0007
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0132 0.132 0.2979
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.067 0.1438
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0346 0.067
Brugia malayi Matrixin family protein 0.0017 0.0043 0.0059
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0066 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0349 0.0679
Brugia malayi Pre-SET motif family protein 0.0252 0.2657 0.3676
Echinococcus multilocularis cpg binding protein 0.003 0.0183 0.0284
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0063 0.0087
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2657 1
Schistosoma mansoni hypothetical protein 0.0398 0.4282 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0349 0.0679
Schistosoma mansoni cpg binding protein 0.003 0.0183 0.0284
Plasmodium vivax telomerase reverse transcriptase, putative 0.0249 0.2625 1
Brugia malayi Hemopexin family protein 0.0024 0.0122 0.0169
Schistosoma mansoni jumonji/arid domain-containing protein 0.0044 0.0346 0.067
Onchocerca volvulus Matrix metalloproteinase homolog 0.0038 0.0273 0.0231
Mycobacterium leprae PROBABLE HYDROLASE 0.0021 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0043 0.0162
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0528 0.1103
Brugia malayi Matrixin family protein 0.0017 0.0043 0.0059
Echinococcus multilocularis geminin 0.0205 0.2131 0.49
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0262 0.0471
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0524 0.1972
Brugia malayi Pre-SET motif family protein 0.0037 0.0262 0.0363
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0399 0.0797
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0873 0.192
Echinococcus granulosus peregrin 0.0035 0.0246 0.0433
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0349 0.0483
Loa Loa (eye worm) hypothetical protein 0.0037 0.0262 0.0986
Onchocerca volvulus 0.0028 0.0165 0.0123
Onchocerca volvulus 0.0287 0.3043 0.3013
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0458 0.0891
Echinococcus multilocularis GPCR, family 2 0.0019 0.0066 0.0007
Giardia lamblia Telomerase catalytic subunit 0.0249 0.2625 1
Schistosoma mansoni hypothetical protein 0.0035 0.0246 0.0433
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0262 0.0471
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0132 0.132 0.2979
Schistosoma mansoni hypothetical protein 0.0024 0.0122 0.0139
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0312 0.0432
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0066 0.0007
Leishmania major telomerase reverse transcriptase, putative 0.0249 0.2625 1
Loa Loa (eye worm) matrix metalloproteinase 0.0017 0.0043 0.0162
Onchocerca volvulus 0.0024 0.0122 0.0079
Onchocerca volvulus 0.0037 0.0262 0.022
Echinococcus granulosus GPCR family 2 0.0019 0.0066 0.0007
Mycobacterium ulcerans hydrolase 0.0021 0.0084 0.0345
Plasmodium vivax SET domain protein, putative 0.0037 0.0262 0.0994
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0066 0.0092
Brugia malayi jmjC domain containing protein 0.0115 0.1137 0.1573
Brugia malayi F/Y-rich N-terminus family protein 0.0021 0.0092 0.0127
Plasmodium falciparum telomerase reverse transcriptase 0.0249 0.2625 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0246 0.0433
Loa Loa (eye worm) hypothetical protein 0.0021 0.0084 0.0317
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0399 0.0797
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.067 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0063 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0044 0.0346 0.067
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1137 0.2545
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0249 0.2625 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.067 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.067 0.1782
Toxoplasma gondii RNA-directed DNA polymerase 0.0249 0.2625 1
Brugia malayi Matrixin family protein 0.0017 0.0043 0.0059
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0524 0.0725
Brugia malayi Bromodomain containing protein 0.0035 0.0246 0.034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0349 0.0679
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0262 0.0471
Plasmodium falciparum phd finger protein, putative 0.0035 0.0246 0.0932
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0328 0.0628
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0165 0.0622

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 10 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 29.081 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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