Detailed information for compound 1247267

Basic information

Technical information
  • TDR Targets ID: 1247267
  • Name: methyl (2S,3aR,6S,7aR)-6-hydroxy-1-[(4-phenyl phenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroind ole-2-carboxylate
  • MW: 365.465 | Formula: C23H27NO3
  • H donors: 1 H acceptors: 2 LogP: 4.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H]1C[C@@H]2[C@H](N1Cc1ccc(cc1)c1ccccc1)C[C@H](CC2)O
  • InChi: 1S/C23H27NO3/c1-27-23(26)22-13-19-11-12-20(25)14-21(19)24(22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,19-22,25H,11-15H2,1H3/t19-,20+,21-,22+/m1/s1
  • InChiKey: WTXUTKYEZVYCHY-MBDNFAEBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,3aR,6S,7aR)-6-hydroxy-1-[(4-phenylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid methyl ester
  • (2S,3aR,6S,7aR)-6-hydroxy-1-(4-phenylbenzyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid methyl ester
  • UPCMLD10ADHK001287:001
  • SDCCGMLS-0091687.P001
  • MLS000877811
  • SMR000440323
  • NCGC00142138-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Brugia malayi Cytochrome P450 family protein 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
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative 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
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
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0005 0.0081 0.0081
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0752 0.0752
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0752 0.0758
Brugia malayi jmjC domain containing protein 0.0073 0.9918 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0578 0.0583
Loa Loa (eye worm) hypothetical protein 0.0019 0.2076 0.2093
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.9632 0.9711
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0885 0.0919
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0752 0.0758
Echinococcus multilocularis cpg binding protein 0.0037 0.4646 0.4824
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0752 0.0752
Schistosoma mansoni tar DNA-binding protein 0.0062 0.8252 0.8252
Schistosoma mansoni jumonji domain containing protein 0.0019 0.2076 0.2076
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0752 0.0781
Loa Loa (eye worm) hypothetical protein 0.0005 0.0081 0.0081
Schistosoma mansoni thyroid hormone receptor 0.001 0.0752 0.0752
Brugia malayi jmjC domain containing protein 0.0019 0.2076 0.2093
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.1978 0.8342
Schistosoma mansoni nuclear hormone receptor 0.001 0.0752 0.0752
Brugia malayi nuclear receptor RXR 0.0005 0.0081 0.0081
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.8252 0.832
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0578 0.0583
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0752 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0752 0.0758
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.2076 0.2093
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0885 0.0892
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.2076 0.2093
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.7882 0.7882
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0752 0.0758
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.9918 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.8252 0.832
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0752 0.0752
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.7882 1
Brugia malayi TAR-binding protein 0.0062 0.8252 0.832
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.886 1
Brugia malayi nuclear hormone receptor 0.001 0.0752 0.0758
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.2076 0.2093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0752 0.0781
Loa Loa (eye worm) hypothetical protein 0.0019 0.2076 0.2093
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0752 0.1725
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.2076 0.2093
Brugia malayi RNA binding protein 0.0062 0.8252 0.832
Plasmodium vivax JmjC domain containing protein 0.0019 0.2076 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.1978 0.1994
Brugia malayi CXXC zinc finger family protein 0.0035 0.436 0.4395
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0885 0.0892
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0752 0.0758
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Schistosoma mansoni tar DNA-binding protein 0.0062 0.8252 0.8252
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.1483 0.1495
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0752 0.0758
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0752 0.0758
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.1978 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.8252 0.8252
Loa Loa (eye worm) hypothetical protein 0.0005 0.0081 0.0081
Brugia malayi jmjC domain containing protein 0.0019 0.2076 0.2093
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0752 0.0758
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.1978 0.0773
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0752 0.0758
Schistosoma mansoni jumonji domain containing protein 0.0071 0.9632 0.9632
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.2076 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.2076 0.2076
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0752 0.0752
Schistosoma mansoni tar DNA-binding protein 0.0062 0.8252 0.8252
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.1978 0.0773
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.7882 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0752 0.0758
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0752 0.1725
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0578 0.06
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Loa Loa (eye worm) hypothetical protein 0.0005 0.0081 0.0081
Echinococcus multilocularis tar DNA binding protein 0.0062 0.8252 0.8567
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0081 0.0081
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0752 0.0758
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.2076 0.2076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0752 0.0758
Brugia malayi jmjC domain containing protein 0.0071 0.9632 0.9711
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.2363 0.2382
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.2076 0.2093
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0081 0.0081
Schistosoma mansoni coup transcription factor 0.001 0.0752 0.0752
Brugia malayi nuclear receptor NHR-88 0.001 0.0752 0.0758
Echinococcus multilocularis phd:f box containing protein 0.0019 0.2076 0.2155
Loa Loa (eye worm) CYP4Cod1 0.0015 0.1483 0.1495
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.2076 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0752 0.0758
Schistosoma mansoni thyroid hormone receptor 0.001 0.0752 0.0752
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.9918 0.9918
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.2076 0.2155
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.7882 0.8183
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.1978 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0752 0.0758
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0752 0.0758
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0752 0.0781
Echinococcus granulosus phd:f box containing protein 0.0019 0.2076 0.2093
Schistosoma mansoni tar DNA-binding protein 0.0062 0.8252 0.8252
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.2363 0.2453
Schistosoma mansoni phd/f-box containing protein 0.0019 0.2076 0.2076
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0081 0.0081
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0865 0.0872
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0752 0.0752
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.2076 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.7882 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0578 0.0578
Echinococcus granulosus cpg binding protein 0.0037 0.4646 0.4685
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.9918 0.9918
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.2076 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0752 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0752 0.0758
Loa Loa (eye worm) hypothetical protein 0.0019 0.2076 0.2093
Brugia malayi Cytochrome P450 family protein 0.0015 0.1483 0.1495
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.1978 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.1978 0.2053
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.1978 0.1994
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.2076 0.0143
Loa Loa (eye worm) TAR-binding protein 0.0062 0.8252 0.832
Schistosoma mansoni ap endonuclease 0.0018 0.1978 0.1978
Schistosoma mansoni protein phosphatase 2C 0.0019 0.2076 0.2076
Loa Loa (eye worm) hypothetical protein 0.0011 0.0863 0.087
Brugia malayi steroid hormone receptor 0.001 0.0752 0.0758
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.7882 0.7947
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0752 0.0758
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.2076 0.2155
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0752 0.0758
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.436 0.4395
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0752 0.0758
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0752 0.0781
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0752 0.0781
Schistosoma mansoni cpg binding protein 0.0037 0.4646 0.4646
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Echinococcus granulosus FTZ F1 alpha 0.001 0.0752 0.0758
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.9632 1
Brugia malayi jmjC domain containing protein 0.0019 0.2076 0.2093
Brugia malayi jmjC domain containing protein 0.0019 0.2076 0.2093
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0752 0.0758
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.005 0.005
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0752 0.0752
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0081 0.0084
Brugia malayi ecdysteroid receptor 0.001 0.0752 0.0758
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0752 0.0752
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.2076 0.2155
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0752 0.0781
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0752 0.0781
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.8252 0.832
Loa Loa (eye worm) hypothetical protein 0.001 0.0752 0.0758
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.7882 0.8579
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0752 0.0752
Schistosoma mansoni cpg binding protein 0.0035 0.436 0.436
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.1978 0.1994
Brugia malayi Cytochrome P450 family protein 0.0015 0.1483 0.1495
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0752 0.0758
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.2076 0.0143
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0005 0.0081 0.0081
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0578 0.06
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0752 0.0758
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0081 0.0081
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.1978 0.8342
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0752 0.0781
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.1978 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.7882 0.7882
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0752 0.0758
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0752 0.1725
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.1978 0.8342
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0081 0.0081
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.9632 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.7882 1
Schistosoma mansoni ap endonuclease 0.0018 0.1978 0.1978
Brugia malayi hypothetical protein 0.0005 0.0081 0.0081
Leishmania major hypothetical protein, conserved 0.0019 0.2076 0.0926
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.7882 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.9918 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.8252 0.832
Onchocerca volvulus 0.0035 0.436 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.1978 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0752 0.0758
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.1483 0.1495
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.1978 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0752 0.0758
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0752 0.0758
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0752 0.0781
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0752 0.0758
Schistosoma mansoni cpg binding protein 0.0037 0.4646 0.4646
Onchocerca volvulus 0.001 0.0752 0.1725
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.2076 0.2093
Loa Loa (eye worm) hypothetical protein 0.0005 0.0081 0.0081
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0752 0.0752
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0752 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0752 0.0758
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0752 0.0758

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.929 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) 35.4813 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

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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