Detailed information for compound 66329

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 822.861 | Formula: C37H38N6O12S2
  • H donors: 4 H acceptors: 13 LogP: -2.25 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 3
  • SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](n1c(=O)c2cccc3c2c(c1=O)cc1c3cncc1)CNCCNC[C@H](n1c(=O)c2cccc3c2c(c1=O)cc(c3)[N+](=O)[O-])C
  • InChi: 1S/C35H30N6O6.2CH4O3S/c1-19(39-32(42)25-7-3-5-22-13-23(41(46)47)15-28(30(22)25)35(39)45)16-37-11-12-38-17-20(2)40-33(43)26-8-4-6-24-29-18-36-10-9-21(29)14-27(31(24)26)34(40)44;2*1-5(2,3)4/h3-10,13-15,18-20,37-38H,11-12,16-17H2,1-2H3;2*1H3,(H,2,3,4)/t19-,20-;;/m1../s1
  • InChiKey: AOXOKUOWTUYFDG-WUMQWIPTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.6121 1 1
Trichomonas vaginalis WD repeat domain, putative 0.0067 0.0035 0.0057
Loa Loa (eye worm) hypothetical protein 0.0585 0.0887 0.0887
Brugia malayi celfurPC protein 0.4885 0.7965 0.7965
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0273 0.0374 1
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0374 0.0614
Schistosoma mansoni histone deacetylase 0.0074 0.0047 0.0047
Schistosoma mansoni site-1 peptidase (S08 family) 0.0273 0.0374 0.0374
Echinococcus multilocularis neuroendocrine convertase 2 0.3877 0.6307 0.7918
Trypanosoma cruzi histone deacetylase 1, putative 0.0074 0.0047 0.1182
Toxoplasma gondii subtilisin SUB2 0.0273 0.0374 1
Toxoplasma gondii subtilisin SUB12 0.0273 0.0374 1
Brugia malayi SWIRM domain containing protein 0.0585 0.0887 0.0887
Echinococcus granulosus protein will die slowly 0.0067 0.0035 0.0035
Toxoplasma gondii histone lysine-specific demethylase 0.011 0.0105 0.281
Loa Loa (eye worm) endoprotease bli-4 0.6121 1 1
Echinococcus multilocularis 0.011 0.0105 0.0132
Echinococcus granulosus histone deacetylase 3 0.0074 0.0047 0.0047
Schistosoma mansoni protein kinase 0.0125 0.0131 0.0131
Loa Loa (eye worm) TK/EGFR protein kinase 0.0471 0.07 0.07
Onchocerca volvulus CoRest homolog 0.0166 0.0198 0.1912
Echinococcus multilocularis membrane bound transcription factor site 1 0.0273 0.0374 0.047
Trypanosoma cruzi subtilisin peptidase 0.0273 0.0374 1
Toxoplasma gondii subtilisin SUB10 0.0273 0.0374 1
Echinococcus multilocularis Furin 1 0.1509 0.2409 0.3024
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0273 0.0374 1
Schistosoma mansoni shk1 kinase-binding protein 0.0074 0.0047 0.0047
Plasmodium falciparum histone deacetylase 1 0.0074 0.0047 0.0007
Brugia malayi Myb-like DNA-binding domain containing protein 0.0161 0.019 0.019
Echinococcus granulosus protein arginine N methyltransferase 5 0.0074 0.0047 0.0047
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1509 0.2409 0.3948
Plasmodium falciparum subtilisin-like protease 3 0.0273 0.0374 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trichomonas vaginalis histone deacetylase, putative 0.0074 0.0047 0.0077
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0273 0.0374 1
Onchocerca volvulus 0.0273 0.0374 0.3985
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1509 0.2409 0.3948
Plasmodium vivax histone deacetylase 1, putative 0.0074 0.0047 0.0007
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0273 0.0374 1
Echinococcus multilocularis protein will die slowly 0.0067 0.0035 0.0044
Echinococcus granulosus Furin 1 0.1509 0.2409 0.2409
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0273 0.0374 0.0374
Plasmodium vivax subtilisin-like serine protease, putative 0.0273 0.0374 1
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.125 0.1983 0.1983
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0227 0.0299 0.0299
Schistosoma mansoni hypothetical protein 0.1236 0.1959 0.1959
Brugia malayi neuroendocrine convertase 1 precursor 0.3877 0.6307 0.6307
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.011 0.0106 0.0106
Loa Loa (eye worm) histone deacetylase 1 0.0074 0.0047 0.0047
Schistosoma mansoni hypothetical protein 0.0067 0.0035 0.0035
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Loa Loa (eye worm) hypothetical protein 0.2368 0.3823 0.3823
Echinococcus granulosus lysine specific histone demethylase 1A 0.011 0.0105 0.0105
Trypanosoma brucei subtilisin peptidase 0.0273 0.0374 1
Loa Loa (eye worm) Skb1 methyltransferase 0.0074 0.0047 0.0047
Toxoplasma gondii histone deacetylase HDAC2 0.0074 0.0047 0.1248
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Echinococcus multilocularis histone deacetylase 3 0.0074 0.0047 0.0059
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.011 0.0105 0.179
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Chlamydia trachomatis protoporphyrinogen oxidase 0.011 0.0105 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.011 0.0105 0.179
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1509 0.2409 0.3948
Loa Loa (eye worm) hypothetical protein 0.0161 0.019 0.019
Trypanosoma cruzi histone deacetylase 1, putative 0.0074 0.0047 0.1182
Schistosoma mansoni histone deacetylase 0.0074 0.0047 0.0047
Trichomonas vaginalis histone deacetylase, putative 0.0074 0.0047 0.0077
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0273 0.0374 0.0374
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.011 0.0105 0.179
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1509 0.2409 0.3948
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trichomonas vaginalis hypothetical protein 0.1236 0.1959 0.3211
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1509 0.2409 0.3948
Loa Loa (eye worm) hypothetical protein 0.0155 0.018 0.018
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trypanosoma cruzi UDP-galactopyranose mutase 0.011 0.0105 0.2756
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Loa Loa (eye worm) hypothetical protein 0.011 0.0105 0.0105
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0273 0.0374 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0539 0.0812 0.0812
Giardia lamblia High cysteine membrane protein Group 2 0.2243 0.3618 1
Echinococcus granulosus neuroendocrine convertase 2 0.3877 0.6307 0.6307
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Schistosoma mansoni tyrosine kinase 0.0471 0.07 0.07
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Trichomonas vaginalis histone deacetylase, putative 0.0074 0.0047 0.0077
Leishmania major histone deacetylase, putative 0.0074 0.0047 0.1182
Brugia malayi Subtilase family protein 0.0273 0.0374 0.0374
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Schistosoma mansoni protein kinase 0.0125 0.0131 0.0131
Trichomonas vaginalis histone deacetylase, putative 0.0074 0.0047 0.0077
Brugia malayi hypothetical protein 0.011 0.0105 0.0105
Plasmodium falciparum subtilisin-like protease 1 0.0273 0.0374 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1509 0.2409 0.3948
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0125 0.0131 0.0164
Giardia lamblia Furin precursor putative serine protease 0.1236 0.1959 0.5416
Toxoplasma gondii subtilisin SUB6 0.0273 0.0374 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0125 0.0131 0.0131
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0036 0.0036
Brugia malayi Histone deacetylase 1 0.0074 0.0047 0.0047
Giardia lamblia Histone deacetylase 0.0074 0.0047 0.0129
Brugia malayi Skb1 methyltransferase family protein 0.0074 0.0047 0.0047
Brugia malayi Cytochrome P450 family protein 0.0067 0.0036 0.0036
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0273 0.0374 0.0374
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Brugia malayi histone deacetylase 3 (HD3) 0.0074 0.0047 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0273 0.0374 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0074 0.0047 0.0077
Loa Loa (eye worm) hypothetical protein 0.0074 0.0047 0.0047
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0273 0.0374 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0539 0.0812 0.0812
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Echinococcus granulosus furin 0.6121 1 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0273 0.0374 0.0374
Loa Loa (eye worm) proprotein convertase 2 0.1509 0.2409 0.2409
Loa Loa (eye worm) hypothetical protein 0.0539 0.0812 0.0812
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.1236 0.1959 0.3211
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3753 0.6102 1
Loa Loa (eye worm) subtilase 0.0273 0.0374 0.0374
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0374 0.0614
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Toxoplasma gondii subtilisin SUB9 0.0273 0.0374 1
Loa Loa (eye worm) hypothetical protein 0.0539 0.0812 0.0812
Plasmodium vivax hypothetical protein, conserved 0.011 0.0105 0.179
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.0047 0.0003 0.0005
Leishmania major histone deacetylase, putative 0.0074 0.0047 0.1182
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Onchocerca volvulus 0.0111 0.0107 0.0852
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.3753 0.6102 0.6102
Trypanosoma brucei histone deacetylase 1 0.0074 0.0047 0.1182
Brugia malayi proprotein convertase 2 0.3877 0.6307 0.6307
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0374 0.0614
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.1236 0.1959 0.3211
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0273 0.0374 1
Plasmodium vivax subtilisin-like protease 1 0.0273 0.0374 1
Entamoeba histolytica histone deacetylase, putative 0.0074 0.0047 1
Schistosoma mansoni furin-1 (S08 family) 0.2641 0.4273 0.4273
Loa Loa (eye worm) hypothetical protein 0.0166 0.0198 0.0198
Toxoplasma gondii subtilisin SUB8 0.0273 0.0374 1
Onchocerca volvulus 0.0585 0.0887 1
Echinococcus multilocularis protein arginine N methyltransferase 5 0.0074 0.0047 0.0058
Leishmania major subtilisin-like serine peptidase 0.0273 0.0374 1
Leishmania major UDP-galactopyranose mutase 0.011 0.0105 0.2756
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0273 0.0374 1
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.1509 0.2409 0.2409
Brugia malayi histone deacetylase 1 (HD1) 0.0074 0.0047 0.0047
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0074 0.0047 0.0077
Echinococcus granulosus epidermal growth factor receptor 0.0471 0.07 0.07
Echinococcus multilocularis epidermal growth factor receptor 0.0471 0.07 0.0879
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.011 0.0105 0.281
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.011 0.0105 0.179
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0273 0.0374 1
Trichomonas vaginalis histone deacetylase, putative 0.0074 0.0047 0.0077
Schistosoma mansoni amine oxidase 0.011 0.0105 0.0105
Echinococcus multilocularis histone deacetylase 1 0.0074 0.0047 0.0059
Toxoplasma gondii subtilisin SUB11 0.0273 0.0374 1
Plasmodium vivax subtilisin-like protease 2, putative 0.0273 0.0374 1
Mycobacterium leprae Possible secreted protease 0.0273 0.0374 1
Toxoplasma gondii subtilisin SUB7 0.0273 0.0374 1
Toxoplasma gondii subtilisin SUB5 0.0273 0.0374 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Echinococcus multilocularis 0.4885 0.7965 1
Loa Loa (eye worm) WD40 repeat protein 0.0067 0.0035 0.0035
Echinococcus granulosus histone deacetylase 1 0.0074 0.0047 0.0047
Toxoplasma gondii subtilisin SUB1 0.0273 0.0374 1
Toxoplasma gondii histone deacetylase HDAC3 0.0074 0.0047 0.1248
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0074 0.0047 0.0077
Trichomonas vaginalis shk1 kinase-binding protein, putative 0.0047 0.0003 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0374 0.0614
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0273 0.0374 0.0374
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.011 0.0105 0.0105
Schistosoma mansoni amine oxidase 0.011 0.0105 0.0105
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.1236 0.1959 0.3211
Loa Loa (eye worm) hypothetical protein 0.6121 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0074 0.0047 0.0077
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Brugia malayi amine oxidase, flavin-containing family protein 0.0155 0.018 0.018
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.3753 0.6102 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0539 0.0812 0.102
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Toxoplasma gondii histone arginine methyltransferase PRMT5 0.0074 0.0047 0.1243
Brugia malayi Will die slowly protein 0.0067 0.0035 0.0035
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0273 0.0374 0.0614
Loa Loa (eye worm) hypothetical protein 0.0273 0.0374 0.0374
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0273 0.0374 1
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.3753 0.6102 0.7661
Brugia malayi Furin-like cysteine rich region family protein 0.0471 0.07 0.07
Schistosoma mansoni protein kinase 0.0125 0.0131 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Echinococcus multilocularis protoporphyrinogen oxidase 0.011 0.0105 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.0273 0.0374 0.0614
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0273 0.0374 1
Plasmodium falciparum subtilisin-like protease 2 0.0273 0.0374 1
Plasmodium vivax hypothetical protein, conserved 0.011 0.0105 0.179
Toxoplasma gondii subtilisin SUB4 0.0273 0.0374 1
Trichomonas vaginalis conserved hypothetical protein 0.1236 0.1959 0.3211
Echinococcus granulosus membrane bound transcription factor site 1 0.0273 0.0374 0.0374
Loa Loa (eye worm) hypothetical protein 0.011 0.0105 0.0105
Trypanosoma cruzi UDP-galactopyranose mutase 0.011 0.0105 0.2756
Plasmodium vivax protoporphyrinogen oxidase, putative 0.011 0.0105 0.179
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0273 0.0374 0.0374
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.011 0.0106 0.0106
Loa Loa (eye worm) histone deacetylase 3 0.0074 0.0047 0.0047
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0273 0.0374 0.047
Entamoeba histolytica Skb1 methyltransferase, putative 0.0074 0.0047 0.9953
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0273 0.0374 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.035 uM Compound was evaluated in vitro for the 50% inhibitory activity against L1210 murine leukemia ChEMBL. No reference
IC50 (functional) = 0.035 uM Compound was evaluated in vitro for the 50% inhibitory activity against L1210 murine leukemia ChEMBL. No reference
IC50 (binding) = 0.088 uM In vitro DNA poly-dGdC binding by ethidium bromide displacement ChEMBL. No reference
IC50 (binding) = 1.2 uM In vitro DNA poly-dAdT binding by ethidium bromide displacement ChEMBL. No reference
Inhibition (functional) % Compound was evaluated in vivo for the percent tumor growth inhibition against human solid tumors implanted in nude mice MX-1 (breast), iv; NT=Not tested ChEMBL. No reference
Inhibition (functional) 0 % Compound was evaluated in vivo for the percent tumor growth inhibition against human solid tumors implanted in nude mice MX-1 (breast), iv; NT=Not tested ChEMBL. No reference
Inhibition (functional) = 94 % Compound was evaluated in vivo for the percent tumor growth inhibition against human solid tumors implanted in nude mice LX-1 (lung), iv ChEMBL. No reference
Inhibition (functional) = 94 % Compound was evaluated in vivo for the percent tumor growth inhibition against human solid tumors implanted in nude mice LX-1 (lung), iv ChEMBL. No reference
Inhibition (functional) = 99 % Compound was evaluated in vivo for the percent tumor growth inhibition against human solid tumors implanted in nude mice DLD-2 (colon), iv ChEMBL. No reference
Inhibition (functional) = 99 % Compound was evaluated in vivo for the percent tumor growth inhibition against human solid tumors implanted in nude mice DLD-2 (colon), iv ChEMBL. No reference
MTD (functional) = 6 mg kg-1 Compound was evaluated in vivo for the maximum tolerated dose against the following human solid tumors implanted in nude miceMX-1 (breast) ChEMBL. No reference
MTD (functional) = 6 mg kg-1 Compound was evaluated in vivo for the maximum tolerated dose against the following human solid tumors implanted in nude miceDLD-2 (colon) ChEMBL. No reference
MTD (functional) = 6 mg kg-1 Compound was evaluated in vivo for the maximum tolerated dose against the following human solid tumors implanted in nude miceLX-1 (lung) ChEMBL. No reference
MTD (functional) = 6 mg kg-1 Compound was evaluated in vivo for the maximum tolerated dose against the following human solid tumors implanted in nude miceMX-1 (breast) ChEMBL. No reference
MTD (functional) = 6 mg kg-1 Compound was evaluated in vivo for the maximum tolerated dose against the following human solid tumors implanted in nude miceDLD-2 (colon) ChEMBL. No reference
MTD (functional) = 6 mg kg-1 Compound was evaluated in vivo for the maximum tolerated dose against the following human solid tumors implanted in nude miceLX-1 (lung) ChEMBL. No reference
S = 65 g l-1 Solubility of the compound in water ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus 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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