Detailed information for compound 1595269

Basic information

Technical information
  • TDR Targets ID: 1595269
  • Name: methanesulfonate; 2,3,8-trimethoxy-5-methylbe nzo[c]phenanthridin-5-ium
  • MW: 429.486 | Formula: C22H23NO6S
  • H donors: 1 H acceptors: 3 LogP: 3.85 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]S(=O)(=O)C.COc1ccc2c(c1)c[n+](c1c2ccc2c1cc(c(c2)OC)OC)C
  • InChi: 1S/C21H20NO3.CH4O3S/c1-22-12-14-9-15(23-2)6-8-16(14)17-7-5-13-10-19(24-3)20(25-4)11-18(13)21(17)22;1-5(2,3)4/h5-12H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
  • InChiKey: XIBWFAFEMMNMAL-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • methanesulfonate; 2,3,8-trimethoxy-5-methyl-benzo[c]phenanthridin-5-ium
  • NSC645306

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
Entamoeba histolytica protein kinase, putative 0.017 0.0793 1
Echinococcus multilocularis cathepsin b 0.0737 0.4029 1
Schistosoma mansoni cathepsin F (C01 family) 0.0069 0.022 0.022
Plasmodium falciparum plasmepsin VIII, putative 0.0072 0.0234 1
Echinococcus granulosus cathepsin L 0.0046 0.0089 0.0222
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Echinococcus granulosus cathepsin l1 0.0069 0.022 0.0547
Echinococcus granulosus cathepsin l cysteine peptidase 0.0069 0.022 0.0547
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Plasmodium falciparum plasmepsin VI 0.0072 0.0234 1
Entamoeba histolytica cysteine proteinase, putative 0.0046 0.0089 0.1127
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Loa Loa (eye worm) hypothetical protein 0.0069 0.022 0.0547
Loa Loa (eye worm) hypothetical protein 0.0054 0.0131 0.0325
Loa Loa (eye worm) fibroinase 0.0069 0.022 0.0547
Schistosoma mansoni P2X receptor subunit 0.0068 0.0211 0.0211
Brugia malayi Cathepsin L-like precursor 0.0069 0.022 0.0547
Echinococcus multilocularis cathepsin b 0.0737 0.4029 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0046 0.0089 0.1127
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Brugia malayi cathepsin B-like cysteine proteinase 0.0737 0.4029 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0054 0.0131 0.0325
Loa Loa (eye worm) hypothetical protein 0.0737 0.4029 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0737 0.4029 0.4029
Echinococcus multilocularis cysteine protease 0.0069 0.022 0.0547
Onchocerca volvulus 0.0072 0.0234 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Plasmodium vivax vivapain-3 0.0046 0.0089 0.3813
Echinococcus granulosus cysteine protease 0.0046 0.0089 0.0222
Plasmodium vivax aspartyl protease, putative 0.0072 0.0234 1
Giardia lamblia Cathepsin B precursor 0.0249 0.1246 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0131 0.1051
Onchocerca volvulus Cathepsin L homolog 0.0069 0.022 0.9406
Echinococcus granulosus cathepsin l1 0.0054 0.0131 0.0325
Plasmodium vivax aspartyl proteinase, putative 0.0072 0.0234 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0072 0.0234 0.0581
Entamoeba histolytica cysteine proteinase 2 0.0046 0.0089 0.1127
Loa Loa (eye worm) ctsf protein 0.0069 0.022 0.0547
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0581
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Brugia malayi Cathepsin L-like precursor 0.0069 0.022 0.0547
Echinococcus multilocularis cathepsin L cysteine protease 0.0069 0.022 0.0547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0737 0.4029 1
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.022 0.0547
Plasmodium falciparum plasmepsin II 0.0072 0.0234 1
Entamoeba histolytica cysteine proteinase, putative 0.0046 0.0089 0.1127
Schistosoma mansoni P2X receptor subunit 0.0068 0.0211 0.0211
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Brugia malayi hypothetical protein 0.0072 0.0234 0.0581
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0249 0.1246 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0249 0.1246 0.3093
Onchocerca volvulus Cathepsin L homolog 0.0069 0.022 0.9406
Brugia malayi aspartic protease BmAsp-2, identical 0.0072 0.0234 0.0581
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0737 0.4029 0.4029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Entamoeba histolytica cysteine proteinase, putative 0.0046 0.0089 0.1127
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0581
Trypanosoma cruzi cysteine proteinase, putative 0.0046 0.0089 0.0222
Plasmodium falciparum cysteine proteinase falcipain 1 0.0046 0.0089 0.3813
Onchocerca volvulus 0.0054 0.0131 0.5593
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Onchocerca volvulus 0.0069 0.022 0.9406
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Schistosoma mansoni P2X receptor subunit 0.0068 0.0211 0.0211
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0046 0.0089 0.0222
Brugia malayi Cathepsin L-like precursor 0.0054 0.0131 0.0325
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Plasmodium falciparum plasmepsin VII 0.0072 0.0234 1
Onchocerca volvulus 0.0072 0.0234 1
Brugia malayi Papain family cysteine protease containing protein 0.0069 0.022 0.0547
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0072 0.0234 0.0581
Echinococcus granulosus p2X purinoceptor 4 0.0068 0.0211 0.0523
Brugia malayi Cathepsin L-like precursor 0.0054 0.0131 0.0325
Brugia malayi Cathepsin L-like precursor 0.0069 0.022 0.0547
Echinococcus granulosus cathepsin b 0.0737 0.4029 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.022 0.0547
Onchocerca volvulus 0.0069 0.022 0.9406
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0069 0.022 0.9406
Brugia malayi Papain family cysteine protease containing protein 0.0046 0.0089 0.0222
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0069 0.022 0.1768
Entamoeba histolytica protein kinase, putative 0.017 0.0793 1
Brugia malayi Cathepsin L-like precursor 0.0069 0.022 0.0547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0249 0.1246 0.1246
Echinococcus multilocularis p2X purinoceptor 4 0.0068 0.0211 0.0523
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Plasmodium vivax plasmepsin IV, putative 0.0072 0.0234 1
Plasmodium falciparum plasmepsin III 0.0072 0.0234 1
Echinococcus granulosus p2X purinoceptor 4 0.0068 0.0211 0.0523
Brugia malayi cathepsin L-like precursor 0.0054 0.0131 0.0325
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0072 0.0234 0.0581
Entamoeba histolytica cysteine proteinase, putative 0.0069 0.022 0.2779
Schistosoma mansoni serine/threonine protein kinase 0.017 0.0793 0.0793
Giardia lamblia Cathepsin B precursor 0.0249 0.1246 1
Toxoplasma gondii aspartyl protease ASP3 0.0072 0.0234 0.1879
Plasmodium falciparum cysteine proteinase falcipain 3 0.0069 0.022 0.9406
Loa Loa (eye worm) hypothetical protein 0.0054 0.0131 0.0325
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0069 0.022 0.0547
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0046 0.0089 0.0717
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.017 0.0792 0.1966
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0072 0.0234 0.1879
Plasmodium vivax unspecified product 0.0046 0.0089 0.3813
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Echinococcus multilocularis p2X purinoceptor 4 0.0068 0.0211 0.0523
Plasmodium vivax vivapain-2 0.0069 0.022 0.9406
Schistosoma mansoni cathepsin D (A01 family) 0.0072 0.0234 0.0234
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Plasmodium vivax vivapain-1 0.0046 0.0089 0.3813
Plasmodium vivax aspartyl protease, putative 0.0072 0.0234 1
Plasmodium falciparum plasmepsin I 0.0072 0.0234 1
Brugia malayi Eukaryotic aspartyl protease family protein 0.0072 0.0234 0.0581
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0054 0.0131 0.1051
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Entamoeba histolytica cysteine proteinase, putative 0.0069 0.022 0.2779
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Echinococcus granulosus p2X purinoceptor 4 0.0068 0.0211 0.0523
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0249 0.1246 1
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Giardia lamblia Cathepsin B precursor 0.0249 0.1246 1
Trypanosoma cruzi cysteine proteinase, putative 0.0046 0.0089 0.0222
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0046 0.0089 0.0717
Onchocerca volvulus 0.0069 0.022 0.9406
Plasmodium vivax plasmepsin V, putative 0.0072 0.0234 1
Brugia malayi aspartic protease BmAsp-1, identical 0.0072 0.0234 0.0581
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0046 0.0089 0.0089
Toxoplasma gondii cathepsin CPL 0.0069 0.022 0.1768
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0072 0.0234 0.0581
Toxoplasma gondii cathepsin B 0.0249 0.1246 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0069 0.022 0.0547
Trypanosoma cruzi cysteine peptidase, putative 0.0046 0.0089 0.0222
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Trypanosoma cruzi cysteine protease, putative 0.0046 0.0089 0.0222
Loa Loa (eye worm) hypothetical protein 0.0072 0.0234 0.0581
Plasmodium vivax aspartyl proteinase, putative 0.0072 0.0234 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0069 0.022 0.1768
Brugia malayi Pepsin A precursor 0.0072 0.0234 0.0581
Loa Loa (eye worm) aspartyl protease 6 0.0072 0.0234 0.0581
Trypanosoma brucei cysteine peptidase C (CPC) 0.0249 0.1246 1
Echinococcus granulosus serine:threonine protein kinase Chk2 0.017 0.0793 0.1967
Echinococcus multilocularis cathepsin L 0.0046 0.0089 0.0222
Echinococcus multilocularis cathepsin L cysteine protease 0.0069 0.022 0.0547
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.022 0.0547
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0737 0.4029 0.4029
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0046 0.0089 0.0089
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0072 0.0234 0.1879
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.017 0.0792 0.1966
Plasmodium falciparum plasmepsin IV 0.0072 0.0234 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0054 0.0131 0.0325
Brugia malayi Cathepsin L-like precursor 0.0069 0.022 0.0547
Echinococcus granulosus cathepsin b 0.0737 0.4029 1
Loa Loa (eye worm) cathepsin B 0.0249 0.1246 0.3093
Onchocerca volvulus Cathepsin F homolog 0.0069 0.022 0.9406
Brugia malayi hypothetical protein 0.0072 0.0234 0.0581
Toxoplasma gondii aspartyl protease ASP1 0.0072 0.0234 0.1879
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Loa Loa (eye worm) hypothetical protein 0.0054 0.0131 0.0325
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0072 0.0234 0.1879
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0046 0.0089 0.0089
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.022 0.0547
Echinococcus granulosus cathepsin L cysteine protease 0.0046 0.0089 0.0222
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0069 0.022 0.0547
Brugia malayi Papain family cysteine protease containing protein 0.0046 0.0089 0.0222
Plasmodium falciparum plasmepsin V 0.0072 0.0234 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Schistosoma mansoni cathepsin D (A01 family) 0.0072 0.0234 0.0234
Plasmodium vivax vivapain-2 0.0069 0.022 0.9406
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0069 0.022 0.1768
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0069 0.022 0.0547
Plasmodium falciparum plasmepsin IX 0.0072 0.0234 1
Onchocerca volvulus 0.0069 0.022 0.9406
Onchocerca volvulus 0.0069 0.022 0.9406
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0737 0.4029 0.4029
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0069 0.022 0.0547
Entamoeba histolytica cysteine protease, putative 0.0069 0.022 0.2779
Entamoeba histolytica cysteine proteinase, putative 0.0046 0.0089 0.1127
Plasmodium falciparum plasmepsin X 0.0072 0.0234 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.022 0.1132
Plasmodium vivax aspartyl protease, putative 0.0072 0.0234 1
Entamoeba histolytica cysteine proteinase, putative 0.0054 0.0131 0.1652
Loa Loa (eye worm) cysteine protease 0.0069 0.022 0.0547
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.017 0.0793 0.1967
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Schistosoma mansoni cathepsin F (C01 family) 0.0069 0.022 0.022
Onchocerca volvulus 0.0069 0.022 0.9406
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0069 0.022 0.1768
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0072 0.0234 0.0234
Brugia malayi Cathepsin L-like precursor 0.0069 0.022 0.0547
Schistosoma mansoni cathepsin F (C01 family) 0.0054 0.0131 0.0131
Entamoeba histolytica cysteine protease, putative 0.0046 0.0089 0.1127
Echinococcus multilocularis cysteine protease 0.0069 0.022 0.0547
Schistosoma mansoni P2X receptor subunit 0.0068 0.0211 0.0211
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.022 0.0547
Onchocerca volvulus 0.0069 0.022 0.9406
Toxoplasma gondii aspartyl protease 0.0072 0.0234 0.1879
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0069 0.022 0.9406
Echinococcus multilocularis p2X purinoceptor 4 0.0068 0.0211 0.0523

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.733 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) -5.602 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) -5.536 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) -5.475 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) -5.211 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) -5.086 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) -5.08 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) -5.032 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) -5.006 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) -4.908 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) -4.837 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

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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