Detailed information for compound 1589693

Basic information

Technical information
  • TDR Targets ID: 1589693
  • Name: 1-(3-aminopropyl)-3-phenyl-1-[3-(phenyl-(phen ylcarbamoyl)amino)propyl]urea
  • MW: 445.557 | Formula: C26H31N5O2
  • H donors: 3 H acceptors: 2 LogP: 3.32 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCN(C(=O)Nc1ccccc1)CCCN(C(=O)Nc1ccccc1)c1ccccc1
  • InChi: 1S/C26H31N5O2/c27-18-10-19-30(25(32)28-22-12-4-1-5-13-22)20-11-21-31(24-16-8-3-9-17-24)26(33)29-23-14-6-2-7-15-23/h1-9,12-17H,10-11,18-21,27H2,(H,28,32)(H,29,33)
  • InChiKey: AYSWWTDRVUGWKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-aminopropyl)-1-[3-[[oxo-(phenylamino)methyl]-phenylamino]propyl]-3-phenylurea
  • AIDS-152088
  • AIDS152088
  • NSC694875
  • NCI60_033952
  • 1-(3-Amino-propyl)-1-[3-(1,3-diphenyl-ureido)-propyl]-3-phenyl-urea

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0451 0.0674 0.2267
Echinococcus granulosus titin 0.0047 0.0011 0.0015
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0274 0.0383 0.0548
Plasmodium falciparum serine/threonine protein kinase, putative 0.0679 0.105 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0275 0.0385 0.5
Trichomonas vaginalis CAMK family protein kinase 0.185 0.2974 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0247 0.0339 0.0339
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0011 0.0011
Trichomonas vaginalis CAMK family protein kinase 0.185 0.2974 1
Echinococcus granulosus Immunoglobulin 0.0247 0.0339 0.0485
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0275 0.0385 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0519 0.0786 0.1124
Schistosoma mansoni serine/threonine protein kinase 0.0679 0.105 0.105
Trypanosoma brucei cytochrome P450, putative 0.0451 0.0674 0.2267
Echinococcus multilocularis aurora kinase A 0.0679 0.105 0.1502
Trypanosoma cruzi polo-like protein kinase, putative 0.185 0.2974 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0021 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0021 0.007
Echinococcus granulosus tyrosine protein kinase otk 0.0053 0.0021 0.003
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0074 0.0055 0.0185
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0057 0.0027 0.0038
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0679 0.105 0.1502
Entamoeba histolytica protein kinase domain containing protein 0.0679 0.105 0.353
Echinococcus granulosus neuroglian 0.0273 0.0382 0.0547
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0275 0.0385 0.5
Brugia malayi Cytochrome P450 family protein 0.0451 0.0674 0.2267
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0679 0.105 0.1502
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0275 0.0385 0.5
Entamoeba histolytica protein kinase , putative 0.0679 0.105 0.353
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0021 0.007
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0275 0.0385 0.1295
Brugia malayi Immunoglobulin I-set domain containing protein 0.0057 0.0027 0.0089
Brugia malayi serine/threonine-protein kinase plk-2 0.185 0.2974 1
Echinococcus granulosus roundabout 2 0.0057 0.0027 0.0038
Trichomonas vaginalis AGC family protein kinase 0.0679 0.105 0.353
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.185 0.2974 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0275 0.0385 0.1295
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0247 0.0339 0.0339
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0047 0.0011 0.0036
Trichomonas vaginalis AGC family protein kinase 0.0679 0.105 0.353
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0042 0.0002 0.0006
Echinococcus multilocularis tyrosine protein kinase otk 0.0053 0.0021 0.003
Loa Loa (eye worm) hypothetical protein 0.0053 0.0021 0.007
Echinococcus granulosus cytochrome P450 2K1 0.0275 0.0385 0.0551
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.0234 0.0786
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0275 0.0385 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0021 0.007
Toxoplasma gondii aurora kinase 0.0679 0.105 1
Leishmania major cytochrome p450-like protein 0.0451 0.0674 0.2267
Brugia malayi Immunoglobulin I-set domain containing protein 0.0042 0.0002 0.0006
Trypanosoma cruzi cytochrome P450, putative 0.0451 0.0674 0.2267
Brugia malayi serine/threonine protein kinase 6 0.0679 0.105 0.353
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0057 0.0027 0.0038
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0053 0.0021 0.0034
Brugia malayi Immunoglobulin I-set domain containing protein 0.0148 0.0177 0.0594
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0122 0.0133 0.0191
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0275 0.0385 0.1295
Schistosoma mansoni cell adhesion molecule 0.0053 0.0021 0.0021
Echinococcus multilocularis activin receptor type 0.0042 0.0002 0.0003
Schistosoma mansoni alpha-glucosidase 0.0157 0.0192 0.0192
Echinococcus granulosus titin 0.0047 0.0011 0.0015
Entamoeba histolytica protein kinase, putative 0.0679 0.105 0.353
Echinococcus multilocularis neuroglian 0.0273 0.0382 0.0547
Brugia malayi Immunoglobulin I-set domain containing protein 0.0057 0.0027 0.0089
Entamoeba histolytica serine/threonine protein kinase, putative 0.185 0.2974 1
Trichomonas vaginalis CAMK family protein kinase 0.185 0.2974 1
Echinococcus granulosus neuroglian 0.0057 0.0027 0.0038
Echinococcus multilocularis Immunoglobulin 0.0247 0.0339 0.0485
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.185 0.2974 0.4256
Schistosoma mansoni protein kinase 0.0042 0.0002 0.0002
Brugia malayi Immunoglobulin I-set domain containing protein 0.1521 0.2433 0.818
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0275 0.0385 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.0234 0.0786
Trichomonas vaginalis CAMK family protein kinase 0.185 0.2974 1
Loa Loa (eye worm) CAMK protein kinase 0.0047 0.0011 0.0036
Trichomonas vaginalis CAMK family protein kinase 0.185 0.2974 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.0122 0.0133 0.0191
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0275 0.0385 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.185 0.2974 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0275 0.0385 0.5
Schistosoma mansoni protein kinase 0.0042 0.0002 0.0002
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0275 0.0385 0.5
Echinococcus granulosus defective proboscis extension response 0.0247 0.0339 0.0485
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0053 0.0021 0.003
Onchocerca volvulus Serine\/threonine kinase homolog 0.185 0.2974 1
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0053 0.0021 0.0021
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0679 0.105 0.353
Schistosoma mansoni roundabout 0.0053 0.0021 0.0021
Brugia malayi protein unc-22 0.0047 0.0011 0.0036
Schistosoma mansoni tyrosine kinase 0.0122 0.0133 0.0133
Schistosoma mansoni protein kinase 0.0042 0.0002 0.0002
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.0234 0.0334
Trypanosoma brucei polo-like protein kinase 0.185 0.2974 1
Echinococcus granulosus hemicentin 1 0.0053 0.0021 0.003
Echinococcus granulosus aurora kinase A 0.0679 0.105 0.1502
Loa Loa (eye worm) cytochrome P450 family protein 0.0451 0.0674 0.2267
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0042 0.0002 0.0003
Loa Loa (eye worm) TK protein kinase 0.0148 0.0177 0.0594
Echinococcus granulosus lachesin 0.0053 0.0021 0.003
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0451 0.0674 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.025 0.0345 0.1159
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0042 0.0002 0.0003
Schistosoma mansoni cytochrome P450 0.0275 0.0385 0.0385
Loa Loa (eye worm) AUR protein kinase 0.0679 0.105 0.353
Toxoplasma gondii cytochrome p450 superfamily protein 0.0275 0.0385 0.3668
Echinococcus multilocularis 0.0275 0.0385 0.0551
Loa Loa (eye worm) cytochrome P450 0.0275 0.0385 0.1295
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.0234 0.0334
Echinococcus granulosus serine:threonine protein kinase PLK1 0.185 0.2974 0.4256
Brugia malayi Immunoglobulin I-set domain containing protein 0.0057 0.0027 0.0089
Echinococcus multilocularis lachesin 0.0053 0.0021 0.003
Loa Loa (eye worm) hypothetical protein 0.0247 0.0339 0.114
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1521 0.2433 0.818
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0275 0.0385 0.5
Brugia malayi serine/threonine kinase 12 0.0679 0.105 0.353
Echinococcus multilocularis titin 0.0047 0.0011 0.0015
Leishmania major protein kinase, putative 0.0679 0.105 0.353
Onchocerca volvulus 0.1222 0.1943 0.652
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0057 0.0027 0.0038
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0057 0.0027 0.0027
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0021 0.007
Schistosoma mansoni titin 0.0053 0.0021 0.0021
Echinococcus multilocularis roundabout 2 0.0303 0.0432 0.0619
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0021 0.007
Echinococcus multilocularis twitchin 0.0044 0.0005 0.0007
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0679 0.105 0.353
Schistosoma mansoni nephrin 0.0277 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0247 0.0339 0.1141
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0042 0.0002 0.0007
Trypanosoma cruzi cytochrome P450, putative 0.0451 0.0674 0.2267
Loa Loa (eye worm) hypothetical protein 0.025 0.0345 0.1159
Echinococcus granulosus contactin 0.0057 0.0027 0.0038
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0122 0.0133 0.0191
Loa Loa (eye worm) hypothetical protein 0.0053 0.0021 0.007
Leishmania major cytochrome p450-like protein 0.0275 0.0385 0.1295
Schistosoma mansoni septate junction protein 0.0053 0.0021 0.0021
Brugia malayi cytochrome P450 0.0275 0.0385 0.1295
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0011 0.0036
Echinococcus granulosus neuropeptide s receptor 0.0519 0.0786 0.1124
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0275 0.0385 0.1295
Schistosoma mansoni alpha-glucosidase 0.0157 0.0192 0.0192
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0051 0.0017 0.0024
Loa Loa (eye worm) cytochrome P450 family protein 0.1041 0.1645 0.5529
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0275 0.0385 0.5
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.4291 0.6988 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0679 0.105 0.353
Echinococcus granulosus neuropeptide receptor A26 0.0519 0.0786 0.1124
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0247 0.0339 0.0485
Loa Loa (eye worm) TK/ROR protein kinase 0.0051 0.0017 0.0057
Schistosoma mansoni serine/threonine protein kinase 0.185 0.2974 0.2974
Onchocerca volvulus Tyrosine kinase homolog 0.1273 0.2026 0.6802
Echinococcus granulosus tyrosine protein kinase Lyn 0.0042 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.025 0.0345 0.1159
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0021 0.007
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0275 0.0385 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0021 0.007
Brugia malayi Cytochrome P450 family protein 0.0275 0.0385 0.1295
Schistosoma mansoni cell adhesion molecule 0.0277 0.0389 0.0389
Schistosoma mansoni nephrin 0.0057 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0053 0.0021 0.0071
Trichomonas vaginalis CAMK family protein kinase 0.185 0.2974 1
Echinococcus granulosus activin receptor type 0.0042 0.0002 0.0003
Mycobacterium leprae putative cytochrome p450 0.0275 0.0385 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0275 0.0385 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0274 0.0383 0.1288
Trichomonas vaginalis AGC family protein kinase 0.0679 0.105 0.353
Trypanosoma brucei aurora B kinase 0.0679 0.105 0.353
Schistosoma mansoni titin 0.0047 0.0011 0.0011
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0042 0.0002 0.0019
Schistosoma mansoni tyrosine kinase 0.0078 0.0061 0.0061
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0053 0.0021 0.007
Schistosoma mansoni cell adhesion molecule 0.0057 0.0027 0.0027
Brugia malayi Fibronectin type III domain containing protein 0.025 0.0345 0.1159
Brugia malayi Cytochrome P450 family protein 0.1041 0.1645 0.5529
Brugia malayi serine/threonine-protein kinase 6 0.0679 0.105 0.353
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.0234 0.0334
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0122 0.0133 0.0191
Brugia malayi hypothetical protein 0.0312 0.0446 0.1501
Entamoeba histolytica protein kinase, putative 0.0679 0.105 0.353
Schistosoma mansoni septate junction protein 0.0053 0.0021 0.0021
Echinococcus multilocularis roundabout 2 0.0057 0.0027 0.0038
Trichomonas vaginalis CAMK family protein kinase 0.185 0.2974 1
Leishmania major protein kinase, putative 0.0042 0.0002 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0275 0.0385 0.5
Loa Loa (eye worm) CYP4Cod1 0.0451 0.0674 0.2267
Echinococcus multilocularis peroxidasin 0.0053 0.0021 0.003
Echinococcus multilocularis neuropeptide receptor A26 0.0519 0.0786 0.1124
Echinococcus multilocularis neuroglian 0.0057 0.0027 0.0038
Loa Loa (eye worm) hypothetical protein 0.03 0.0426 0.1434
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0275 0.0385 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0057 0.0027 0.0038
Loa Loa (eye worm) hypothetical protein 0.0176 0.0223 0.0748
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0042 0.0002 0.0007
Brugia malayi Cytochrome P450 family protein 0.0451 0.0674 0.2267
Echinococcus granulosus peroxidasin 0.0053 0.0021 0.003
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0275 0.0385 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0021 0.007
Trichomonas vaginalis AGC family protein kinase 0.0679 0.105 0.353
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0053 0.0021 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0053 0.0021 0.007
Schistosoma mansoni hypothetical protein 0.0275 0.0385 0.0385
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.185 0.2974 1
Loa Loa (eye worm) hypothetical protein 0.03 0.0426 0.1434
Echinococcus multilocularis hemicentin 1 0.0053 0.0021 0.003
Loa Loa (eye worm) hypothetical protein 0.0312 0.0446 0.1501
Echinococcus granulosus twitchin 0.029 0.0411 0.0588
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0275 0.0385 0.5
Brugia malayi hypothetical protein 0.025 0.0345 0.1159
Trypanosoma cruzi aurora B kinase, putative 0.0679 0.105 0.353
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0275 0.0385 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0042 0.0002 0.0007
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0057 0.0027 0.0038
Onchocerca volvulus 0.0106 0.0107 0.0325
Schistosoma mansoni neuroglian 0.0057 0.0027 0.0027
Loa Loa (eye worm) AUR protein kinase 0.0679 0.105 0.353
Loa Loa (eye worm) hypothetical protein 0.0247 0.0339 0.114
Echinococcus multilocularis roundabout 2 0.0057 0.0027 0.0038
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0275 0.0385 0.5
Giardia lamblia Kinase, PLK 0.185 0.2974 1
Brugia malayi Peroxidasin 0.0053 0.0021 0.0071
Trypanosoma brucei protein kinase, putative 0.0042 0.0002 0.0007
Loa Loa (eye worm) AUR protein kinase 0.0679 0.105 0.353
Loa Loa (eye worm) hypothetical protein 0.025 0.0345 0.1159
Schistosoma mansoni vesicular amine transporter 0.0247 0.0339 0.0339
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0051 0.0017 0.0024
Echinococcus granulosus roundabout 2 0.0303 0.0432 0.0619
Mycobacterium leprae Conserved hypothetical protein 0.0275 0.0385 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0057 0.0027 0.0089
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0679 0.105 0.5
Brugia malayi Prion-like- 0.0053 0.0021 0.007
Echinococcus multilocularis hemicentin 1 0.0053 0.0021 0.003
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0275 0.0385 0.1295
Leishmania major cytochrome p450-like protein 0.0275 0.0385 0.1295
Loa Loa (eye worm) hypothetical protein 0.0057 0.0027 0.0089
Echinococcus granulosus roundabout 2 0.0057 0.0027 0.0038
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0042 0.0002 0.0007
Echinococcus multilocularis Immunoglobulin 0.0247 0.0339 0.0485
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0275 0.0385 0.5
Schistosoma mansoni protein kinase 0.0679 0.105 0.105
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.4291 0.6988 1
Schistosoma mansoni cell adhesion molecule 0.0057 0.0027 0.0027

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.732 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) -4.7 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) -4.682 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) -4.566 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) -4.565 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) -4.552 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) -4.434 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) -4.393 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) -4.254 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) -4.188 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal 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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