Detailed information for compound 1646554

Basic information

Technical information
  • TDR Targets ID: 1646554
  • Name: N-[3-(2-methylbutylamino)-1,4-dioxonaphthalen -2-yl]acetamide
  • MW: 300.352 | Formula: C17H20N2O3
  • H donors: 2 H acceptors: 3 LogP: 2.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(CNC1=C(NC(=O)C)C(=O)c2c(C1=O)cccc2)C
  • InChi: 1S/C17H20N2O3/c1-4-10(2)9-18-14-15(19-11(3)20)17(22)13-8-6-5-7-12(13)16(14)21/h5-8,10,18H,4,9H2,1-3H3,(H,19,20)
  • InChiKey: NNJDASHKHNFVIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(2-methylbutylamino)-1,4-dioxo-2-naphthyl]acetamide
  • N-[1,4-diketo-3-(2-methylbutylamino)-2-naphthyl]acetamide
  • N-[3-(2-methylbutylamino)-1,4-dioxo-naphthalen-2-yl]ethanamide
  • NCI60_018108
  • NSC651771

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii pyruvate carboxylase 0.1752 0.378 0.3777
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0022 0.0018
Brugia malayi PHD-finger family protein 0.0028 0.0013 0.0009
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.004 0.004 0.0215
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0024 0.0024
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0161 0.0304 0.0416
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0161 0.0304 0.0312
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0161 0.0304 0.0487
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0007 0.0007
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0623 0.1314 0.2905
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0623 0.1314 0.2124
Entamoeba histolytica hypothetical protein 0.0026 0.0009 0.0032
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0178 0.018
Echinococcus granulosus snurportin 1 0.0342 0.07 0.07
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0161 0.0304 0.0304
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.4599 1 1
Echinococcus granulosus importin subunit beta 1 0.0032 0.0022 0.0022
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0097 0.0097
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1752 0.378 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.2847 0.6173 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1752 0.378 0.3777
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0342 0.07 0.0723
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0009 1
Schistosoma mansoni hypothetical protein 0.004 0.004 0.004
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0161 0.0304 0.0301
Leishmania major importin beta-1 subunit, putative 0.0026 0.0009 0.0005
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1752 0.378 0.378
Schistosoma mansoni transcription factor LCR-F1 0.004 0.004 0.004
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1752 0.378 0.378
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.025 0.0256
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0024 0.002
Schistosoma mansoni acetyl-CoA carboxylase 0.4599 1 1
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0396 0.0818 0.1476
Schistosoma mansoni hypothetical protein 0.0033 0.0024 0.0024
Plasmodium falciparum carbamoyl phosphate synthetase 0.0396 0.0818 0.1127
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0024 0.0024
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.004 0.004
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0623 0.1314 0.1311
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0161 0.0304 0.0487
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0161 0.0304 0.0301
Schistosoma mansoni hypothetical protein 0.0033 0.0024 0.0024
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0024 0.0024
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1752 0.378 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0024 0.0022
Brugia malayi hypothetical protein 0.004 0.004 0.0037
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0623 0.1314 0.2905
Plasmodium falciparum importin beta, putative 0.0032 0.0022 0.0026
Loa Loa (eye worm) hypothetical protein 0.0079 0.0124 0.0126
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0161 0.0304 0.0312
Schistosoma mansoni tar DNA-binding protein 0.0136 0.025 0.025
Brugia malayi RNA binding protein 0.0136 0.025 0.0255
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1752 0.378 1
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0161 0.0304 0.0304
Treponema pallidum pyruvate carboxylase subunit B 0.0161 0.0304 0.5
Toxoplasma gondii carbamoylphosphate synthetase 0.0396 0.0818 0.0814
Schistosoma mansoni tar DNA-binding protein 0.0136 0.025 0.025
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0623 0.1314 0.2905
Echinococcus granulosus geminin 0.0174 0.0333 0.0333
Schistosoma mansoni ran 0.0024 0.0004 0.0004
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0161 0.0304 0.0416
Entamoeba histolytica hypothetical protein 0.004 0.004 0.0215
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.1897 0.4098 0.5671
Echinococcus granulosus tar DNA binding protein 0.0136 0.025 0.025
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1735 0.3742 0.3742
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0623 0.1314 0.2905
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0009 1
Leishmania major acetyl-CoA carboxylase, putative 0.4599 1 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1752 0.378 0.378
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0784 0.1666 1
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0396 0.0818 0.1319
Leishmania major carbamoyl-phosphate synthase, putative 0.0396 0.0818 0.0814
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0396 0.0818 0.0818
Schistosoma mansoni tar DNA-binding protein 0.0136 0.025 0.025
Echinococcus multilocularis tar DNA binding protein 0.0136 0.025 0.025
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0223 0.0229
Schistosoma mansoni hypothetical protein 0.007 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0033 0.0024 0.0024
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0161 0.0304 0.0301
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0009 0.0008
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0161 0.0304 0.0301
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0024 0.002
Chlamydia trachomatis biotin carboxylase 0.1591 0.3428 1
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0161 0.0304 0.0301
Loa Loa (eye worm) hypothetical protein 0.0032 0.0022 0.0021
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1752 0.378 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0024 0.0022
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0161 0.0304 0.0304
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0161 0.0304 0.0304
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0396 0.0818 0.0814
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0784 0.1666 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1752 0.378 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0004 0.0001
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0161 0.0304 0.0301
Trypanosoma brucei acetyl-CoA carboxylase 0.4599 1 1
Schistosoma mansoni tar DNA-binding protein 0.0136 0.025 0.025
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0161 0.0304 0.0304
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0178 0.018
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0161 0.0304 0.0416
Loa Loa (eye worm) TAR-binding protein 0.0136 0.025 0.0256
Schistosoma mansoni importin beta-1 0.0032 0.0022 0.0022
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0161 0.0304 0.0301
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0623 0.1314 0.2905
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1752 0.378 0.612
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0009 1
Echinococcus granulosus GPCR family 2 0.0033 0.0024 0.0024
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0623 0.1314 0.1311
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.004 0.004
Schistosoma mansoni tar DNA-binding protein 0.0136 0.025 0.025
Leishmania major carboxylase, putative 0.1752 0.378 0.3777
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0161 0.0304 0.0301
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0161 0.0304 0.0416
Echinococcus multilocularis geminin 0.0174 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0161 0.0304 0.0313
Entamoeba histolytica hypothetical protein 0.004 0.004 0.0215
Schistosoma mansoni pyruvate carboxylase 0.1752 0.378 0.378
Brugia malayi MH2 domain containing protein 0.0124 0.0223 0.0227
Mycobacterium ulcerans pyruvate carboxylase 0.1752 0.378 1
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0161 0.0304 0.0487
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0022 0.0018
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0103 0.0178 0.0181
Brugia malayi Importin beta-1 subunit 0.0032 0.0022 0.0019
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0396 0.0818 0.1476
Schistosoma mansoni bromodomain containing protein 0.007 0.0106 0.0106
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0623 0.1314 0.2905
Entamoeba histolytica hypothetical protein 0.004 0.004 0.0215
Loa Loa (eye worm) hypothetical protein 0.007 0.0106 0.0108
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0161 0.0304 0.0304
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0623 0.1314 0.2905
Schistosoma mansoni ran 0.0024 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0023 0.0003 0.0003
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.4599 1 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0623 0.1314 0.1311
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.4438 0.9648 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1752 0.378 0.612
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0623 0.1314 0.1311
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3328 0.7224 1
Echinococcus multilocularis snurportin 1 0.0342 0.07 0.07
Plasmodium vivax importin-beta 2, putative 0.0032 0.0022 0.0026
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0396 0.0818 0.1127
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0623 0.1314 0.2124
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0623 0.1314 0.3233
Brugia malayi Bromodomain containing protein 0.0043 0.0045 0.0043
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.025 0.0255
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1752 0.378 0.378
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0007 0.0007
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0161 0.0304 0.0301
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0161 0.0304 0.0301
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0161 0.0304 0.0304
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1752 0.378 1
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0623 0.1314 0.2905
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0161 0.0304 0.0301
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0623 0.1314 0.2124
Loa Loa (eye worm) hypothetical protein 0.0045 0.0051 0.0051
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1752 0.378 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1752 0.378 0.3777
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.004 0.004
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0022 0.0018
Brugia malayi RNA, U transporter 1 0.0091 0.0151 0.0153
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0022 0.0022
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0623 0.1314 0.1314
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0004 0.0004
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1752 0.378 0.3777
Brugia malayi TAR-binding protein 0.0136 0.025 0.0255
Loa Loa (eye worm) hypothetical protein 0.0043 0.0046 0.0045
Loa Loa (eye worm) hypothetical protein 0.0047 0.0056 0.0055
Brugia malayi Carboxyl transferase domain containing protein 0.4438 0.9648 1
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0161 0.0304 0.0487
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0161 0.0304 0.0301
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0623 0.1314 0.2905
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.4599 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3328 0.7224 1
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0396 0.0818 0.1319
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0623 0.1314 0.2905
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0161 0.0304 0.0487
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0623 0.1314 0.1314
Schistosoma mansoni aspartate carbamoyltransferase 0.0396 0.0818 0.0818
Schistosoma mansoni hypothetical protein 0.0342 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0161 0.0304 0.0313
Echinococcus multilocularis Biotin lipoyl attachment 0.0161 0.0304 0.0304
Echinococcus multilocularis GPCR, family 2 0.0033 0.0024 0.0024
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0623 0.1314 0.2905
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0623 0.1314 0.2905
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0161 0.0304 0.0313
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0161 0.0304 0.0301
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0097 0.0097
Trypanosoma brucei unspecified product 0.1152 0.2469 0.2466
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0161 0.0304 0.0487
Schistosoma mansoni hypothetical protein 0.0174 0.0333 0.0333
Loa Loa (eye worm) RNA binding protein 0.0136 0.025 0.0256
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0623 0.1314 0.1314
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0178 0.0181
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0024 0.0024
Echinococcus granulosus Biotin lipoyl attachment 0.0161 0.0304 0.0304
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0396 0.0818 0.0818
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.004 0.004
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0161 0.0304 0.0312
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0161 0.0304 0.0487
Schistosoma mansoni hypothetical protein 0.0174 0.0333 0.0333
Brugia malayi Bromodomain containing protein 0.0083 0.0135 0.0135
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0223 0.0229
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0161 0.0304 0.0416
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0161 0.0304 0.0304
Schistosoma mansoni hypothetical protein 0.0033 0.0024 0.0024

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.501 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) -4.45 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.169 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 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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 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) -4 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) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the K-562 Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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