Detailed information for compound 539482

Basic information

Technical information
  • TDR Targets ID: 539482
  • Name: N'-(7-chloro-4-quinolyl)-N-cyclohexyl-ethane- 1,2-diamine
  • MW: 303.83 | Formula: C17H22ClN3
  • H donors: 2 H acceptors: 1 LogP: 4.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)nccc2NCCNC1CCCCC1
  • InChi: 1S/C17H22ClN3/c18-13-6-7-15-16(8-9-20-17(15)12-13)21-11-10-19-14-4-2-1-3-5-14/h6-9,12,14,19H,1-5,10-11H2,(H,20,21)
  • InChiKey: IUBMTYVIPGXROV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(7-chloro-4-quinolyl)-N-cyclohexylethane-1,2-diamine
  • N'-(7-chloroquinolin-4-yl)-N-cyclohexyl-ethane-1,2-diamine
  • (7-chloro-4-quinolyl)-[2-(cyclohexylamino)ethyl]amine
  • N'-(7-chloroquinolin-4-yl)-N-cyclohexylethane-1,2-diamine
  • 2-[(7-chloro-4-quinolyl)amino]ethyl-cyclohexyl-amine
  • 5427-42-9
  • N1-(7-chloro-4-quinolinyl)-N2-cyclohexyl-1,2-ethanediamine
  • NCI13028
  • NCI60_000674
  • NSC-13028
  • NCIStruc2_000672
  • NCIStruc1_001162
  • NSC13028
  • NCGC00013145

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.3871 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0829 0.0829
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1035 0.1035
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.1094 0.1094
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1035 0.1035
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1035 0.1035
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0205 0.6963 1
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1471 0.1471
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1035 0.1486
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0102 0.3131 0.3131
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0102 0.3131 1
Toxoplasma gondii Erv1 / Alr family protein 0.0102 0.3131 1
Brugia malayi hypothetical protein 0.002 0.0023 0.0023
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.1094 0.1094
Schistosoma mansoni hypothetical protein 0.0058 0.1471 0.2112
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.1094 0.2824
Schistosoma mansoni hypothetical protein 0.0041 0.0829 0.1191
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0829 0.0829
Plasmodium vivax glutathione reductase, putative 0.0048 0.1094 0.3492
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.3411 0.881
Brugia malayi Augmenter of liver regeneration 0.0102 0.3131 0.3131
Brugia malayi Thioredoxin reductase 0.0048 0.1094 0.1094
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.3871 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0427 0.1362
Loa Loa (eye worm) glutathione reductase 0.0048 0.1094 0.1094
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0427 0.1362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1035 0.1035
Brugia malayi hypothetical protein 0.003 0.0427 0.0427
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Leishmania major hypothetical protein, conserved 0.0102 0.3131 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.3871 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0001 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1035 0.1486
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1544 0.1544
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0427 0.1362
Leishmania major hypothetical protein, conserved 0.003 0.0427 0.1362
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0102 0.3131 1
Mycobacterium tuberculosis Probable reductase 0.011 0.3411 0.881
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0102 0.3131 1
Brugia malayi glutathione reductase 0.0048 0.1094 0.1094
Echinococcus granulosus geminin 0.0205 0.6963 0.6963
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.3411 0.881
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0102 0.3131 0.3131
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.3411 0.881
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1035 0.1035
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.978 0.978
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.1094 0.3492
Schistosoma mansoni hypothetical protein 0.0205 0.6963 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0427 0.1362
Loa Loa (eye worm) hepatopoietin HPO2 0.0102 0.3131 0.3131
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1035 0.1035
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0427 0.1362
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.1094 0.1094
Loa Loa (eye worm) hypothetical protein 0.003 0.0427 0.0427
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0102 0.3131 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1544 0.1544
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0001 0.0001
Brugia malayi follicle stimulating hormone receptor 0.028 0.978 0.978
Trypanosoma brucei trypanothione reductase 0.0048 0.1094 0.3492
Loa Loa (eye worm) hypothetical protein 0.006 0.1544 0.1544
Schistosoma mansoni survival motor neuron protein 0.0058 0.1471 0.2112
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1035 0.1486
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0102 0.3131 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.3871 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.3411 0.881
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0001 0.0001
Onchocerca volvulus 0.0058 0.1471 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0427 0.1362
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0102 0.3131 1
Toxoplasma gondii thioredoxin reductase 0.0048 0.1094 0.3492
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0001 0.0001
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1544 0.1544
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0001 0.0002
Plasmodium falciparum thioredoxin reductase 0.0048 0.1094 0.3492
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0427 0.1362
Plasmodium falciparum glutathione reductase 0.0048 0.1094 0.3492
Toxoplasma gondii Erv1 / Alr family protein 0.0102 0.3131 1
Echinococcus multilocularis geminin 0.0205 0.6963 0.6963
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.3411 0.881
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.1094 0.3492
Leishmania major trypanothione reductase 0.0048 0.1094 0.3492

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 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) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) 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) 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) = 3.16227766 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
GI50 (functional) -5.79 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.641 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.616 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.53 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.255 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.902 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.805 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.793 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.791 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
MIC (functional) = 100 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv after 5 days by microplate alamar blue assay ChEMBL. 19188070
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 14.581 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) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 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) 28.1838 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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