Detailed information for compound 431177

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1423.81 | Formula: C84H114N2O17
  • H donors: 2 H acceptors: 8 LogP: 14.86 Rotable bonds: 38
    Rule of 5 violations (Lipinski): 2
  • SMILES: C[C@H](CCCC1(C)CCc2c(O1)c(C)c(c(c2C)C)OC(=O)CCC(=O)O[C@H]([C@H](c1ccccc1)NCc1ccccc1)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)OC(=O)CN(C)C)OC(=O)C)CCC[C@H](CCCC(C)C)C
  • InChi: 1S/C84H114N2O17/c1-51(2)29-26-30-52(3)31-27-32-53(4)33-28-43-81(13)44-42-63-54(5)55(6)72(57(8)73(63)103-81)100-67(89)40-41-68(90)101-75(71(62-38-24-19-25-39-62)85-47-60-34-20-17-21-35-60)79(93)98-64-46-84(94)78(95-49-61-36-22-18-23-37-61)76-82(14,77(92)74(97-58(9)87)70(56(64)7)80(84,11)12)65(99-69(91)48-86(15)16)45-66-83(76,50-96-66)102-59(10)88/h17-25,34-39,51-53,64-66,71,74-76,78,85,94H,26-33,40-50H2,1-16H3/t52-,53-,64-,65-,66+,71-,74+,75+,76-,78-,81?,82+,83-,84+/m0/s1
  • InChiKey: IOHRFTZLYXFZPN-OLRVFMDQSA-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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0019 0.0063
Schistosoma mansoni ap endonuclease 0.0039 0.0019 0.0065
Brugia malayi Hemopexin family protein 0.0609 0.1743 0.5728
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0019 0.0035
Entamoeba histolytica glycogen phosphorylase, putative 0.0435 0.1218 0.4107
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0009 0.006
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.0657 0.0657
Onchocerca volvulus 0.0052 0.0058 0.0168
Loa Loa (eye worm) hypothetical protein 0.0104 0.0215 0.0707
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0009 0.0029
Echinococcus granulosus expressed conserved protein 0.0098 0.0196 0.0424
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0043 0.003 0.0103
Schistosoma mansoni patched 1 0.0045 0.0035 0.0119
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0186 0.0186
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0035 0.0035
Schistosoma mansoni glycogen phosphorylase 0.1007 0.2948 1
Mycobacterium ulcerans hypothetical protein 0.005 0.0052 0.0292
Brugia malayi Matrixin family protein 0.0429 0.12 0.3943
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0186 0.0403
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0171
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0012 0.0655
Echinococcus multilocularis geminin 0.0175 0.0431 0.0431
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0012 0.2733
Echinococcus multilocularis protein dispatched 1 0.0051 0.0054 0.0054
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0012 0.0019
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0035 0.0076
Onchocerca volvulus Matrilysin homolog 0.0429 0.12 0.405
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0186 0.0632
Schistosoma mansoni microtubule-associated protein tau 0.0748 0.2166 0.7345
Schistosoma mansoni glycogen phosphorylase 0.0435 0.1218 0.4131
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0171
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0019 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0035 0.0115
Onchocerca volvulus Glycogen phosphorylase homolog 0.1007 0.2948 1
Schistosoma mansoni hypothetical protein 0.0071 0.0116 0.0394
Brugia malayi AMP-binding enzyme family protein 0.005 0.0052 0.0171
Loa Loa (eye worm) matrixin family protein 0.1038 0.3042 1
Echinococcus multilocularis glycogen phosphorylase 0.1007 0.2948 0.2948
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.005 0.0052 0.0351
Loa Loa (eye worm) hypothetical protein 0.0105 0.0219 0.0719
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.1561 0.4625 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0104 0.0215 0.0692
Loa Loa (eye worm) hypothetical protein 0.0045 0.0035 0.0115
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0012 0.0025
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0029
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0009 0.006
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1561 0.4625 0.4625
Onchocerca volvulus Matrilysin homolog 0.0952 0.2783 0.9436
Echinococcus multilocularis Glycosyl transferase, family 35 0.1007 0.2948 0.2948
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.0045
Brugia malayi beta-lactamase 0.0036 0.0009 0.0029
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0052 0.0292
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0019 0.0026
Brugia malayi hypothetical protein 0.025 0.0657 0.216
Entamoeba histolytica glycogenphosphorylase, putative 0.0435 0.1218 0.4107
Onchocerca volvulus 0.0051 0.0054 0.0154
Schistosoma mansoni ap endonuclease 0.0039 0.0019 0.0065
Mycobacterium tuberculosis Conserved protein 0.0036 0.0009 0.006
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0052 1
Brugia malayi AMP-binding enzyme family protein 0.005 0.0052 0.0171
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0038 0.0014 0.0091
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0029
Mycobacterium ulcerans hydrolase 0.0523 0.1483 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0186 0.0186
Chlamydia trachomatis glycogen phosphorylase 0.1007 0.2948 1
Echinococcus granulosus tumor protein p63 0.0357 0.0982 0.2123
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0105 0.0219 0.0714
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0269 0.0886
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0523 0.1483 0.4874
Loa Loa (eye worm) hypothetical protein 0.0071 0.0116 0.0382
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0019 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0012 0.2733
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0019 0.007
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.0019 0.5
Brugia malayi Inositol-1 0.0037 0.0012 0.0039
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0186 0.0613
Brugia malayi beta-lactamase family protein 0.0036 0.0009 0.0029
Loa Loa (eye worm) beta-lactamase 0.0036 0.0009 0.0029
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0429 0.12 0.4068
Echinococcus granulosus Glycosyl transferase family 35 0.1007 0.2948 0.6374
Loa Loa (eye worm) inositol-1 0.0037 0.0012 0.0039
Brugia malayi AMP-binding enzyme family protein 0.005 0.0052 0.0171
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0029
Echinococcus multilocularis tumor protein p63 0.0357 0.0982 0.0982
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0012 0.001
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0435 0.1218 0.8203
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0435 0.1218 0.8213
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0186 0.0632
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0007 0.0049
Loa Loa (eye worm) hypothetical protein 0.005 0.0052 0.0171
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0216 0.0711
Entamoeba histolytica hypothetical protein 0.0076 0.0131 0.0405
Echinococcus granulosus Niemann Pick C1 protein 0.0149 0.035 0.0758
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0009 0.003
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0009 0.006
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.0219 0.0705
Loa Loa (eye worm) hypothetical protein 0.0429 0.12 0.3943
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0131 0.0444
Brugia malayi hypothetical protein 0.0076 0.0131 0.043
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0019 1
Brugia malayi HSF-type DNA-binding domain containing protein 0.0105 0.0219 0.0719
Mycobacterium leprae PROBABLE HYDROLASE 0.0523 0.1483 1
Schistosoma mansoni hypothetical protein 0.0076 0.0131 0.0444
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0029
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0052 0.0292
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.005 0.0052 0.0292
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0007 0.0049
Schistosoma mansoni hypothetical protein 0.0609 0.1743 0.5911
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.0045
Brugia malayi beta-lactamase family protein 0.0036 0.0009 0.0029
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.005 0.0052 0.0292
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0269 0.0886
Echinococcus granulosus microtubule associated protein 2 0.0748 0.2166 0.4682
Mycobacterium tuberculosis Conserved protein 0.0036 0.0009 0.006
Echinococcus granulosus survival motor neuron protein 1 0.025 0.0657 0.1421
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0131 0.0283
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0216 0.0711
Brugia malayi carbohydrate phosphorylase 0.1007 0.2948 0.9691
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0012 0.2733
Onchocerca volvulus 0.0609 0.1743 0.5898
Echinococcus multilocularis protein patched 0.0045 0.0035 0.0035
Entamoeba histolytica hypothetical protein 0.0076 0.0131 0.0405
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0029
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.0219 0.0705
Loa Loa (eye worm) matrix metalloproteinase 0.0429 0.12 0.3943
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.0215 0.0215
Onchocerca volvulus 0.0429 0.12 0.405
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0019 0.0063
Schistosoma mansoni inositol monophosphatase 0.0037 0.0012 0.004
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0116 0.0382
Echinococcus multilocularis Niemann Pick C1 protein 0.0149 0.035 0.035
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0009 0.006
Entamoeba histolytica heat shock transcription factor, putative 0.0105 0.0219 0.0705
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.005 0.0052 0.0292
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0058 0.0197
Brugia malayi Matrixin family protein 0.0429 0.12 0.3943
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0012 0.2733
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0052 0.0351
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0009 0.003
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0007 0.0049
Entamoeba histolytica glycogen phosphorylase, putative 0.1007 0.2948 1
Loa Loa (eye worm) hypothetical protein 0.025 0.0657 0.216
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0019 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0012 0.001
Toxoplasma gondii exonuclease III APE 0.0039 0.0019 1
Entamoeba histolytica hypothetical protein 0.0076 0.0131 0.0405
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0009 0.006
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.0045
Loa Loa (eye worm) glycogen phosphorylase 0.1007 0.2948 0.9691
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0131 0.0131
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0052 0.0137
Trichomonas vaginalis glycogen phosphorylase, putative 0.1007 0.2948 1
Brugia malayi Matrixin family protein 0.1038 0.3042 1
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0019 0.0035
Brugia malayi CHE-14 protein 0.0045 0.0035 0.0115
Entamoeba histolytica acyl-coA synthetase, putative 0.005 0.0052 0.0137
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.0597 0.4026
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0009 0.0029
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0019 0.0019
Echinococcus granulosus glycogen phosphorylase 0.1007 0.2948 0.6374
Mycobacterium ulcerans fatty-acid-CoA ligase 0.005 0.0052 0.0292
Loa Loa (eye worm) matrixin family protein 0.0952 0.2783 0.9146
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0523 0.1483 1
Echinococcus granulosus geminin 0.0175 0.0431 0.0932
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0035 0.0076
Loa Loa (eye worm) hypothetical protein 0.0429 0.12 0.3943
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0019 0.013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0186 0.0632
Schistosoma mansoni hypothetical protein 0.0175 0.0431 0.1461
Echinococcus multilocularis expressed conserved protein 0.0098 0.0196 0.0196
Brugia malayi Niemann-Pick C1 protein precursor 0.0104 0.0215 0.0707
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0009 0.006
Brugia malayi MH2 domain containing protein 0.0122 0.0269 0.0886
Entamoeba histolytica hypothetical protein 0.0076 0.0131 0.0405
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0009 0.0019
Entamoeba histolytica glycogen phosphorylase, putative 0.0435 0.1218 0.4107
Loa Loa (eye worm) hypothetical protein 0.0523 0.1483 0.4874
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0035 0.0089
Schistosoma mansoni glycogen phosphorylase 0.1007 0.2948 1
Onchocerca volvulus 0.005 0.0052 0.0147
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0052 1
Schistosoma mansoni hypothetical protein 0.0175 0.0431 0.1461
Onchocerca volvulus Matrix metalloproteinase homolog 0.0952 0.2783 0.9436
Schistosoma mansoni hypothetical protein 0.0043 0.003 0.0103
Echinococcus multilocularis glycogen phosphorylase 0.1007 0.2948 0.2948
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0036 0.0007 0.0049
Loa Loa (eye worm) hypothetical protein 0.0036 0.0009 0.0029
Schistosoma mansoni hypothetical protein 0.0043 0.003 0.0103
Leishmania major 4-coumarate:coa ligase-like protein 0.005 0.0052 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0054 0.0178
Echinococcus multilocularis microtubule associated protein 2 0.0748 0.2166 0.2166
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0186 0.0613
Echinococcus granulosus glycogen phosphorylase 0.1007 0.2948 0.6374
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0019 1
Schistosoma mansoni survival motor neuron protein 0.0051 0.0054 0.0184
Brugia malayi Matrixin family protein 0.0429 0.12 0.3943
Brugia malayi Matrixin family protein 0.0429 0.12 0.3943
Entamoeba histolytica acyl-CoA synthetase, putative 0.005 0.0052 0.0137
Giardia lamblia Glycogen phosphorylase 0.1007 0.2948 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.005 0.0052 0.0351
Loa Loa (eye worm) hypothetical protein 0.0055 0.0066 0.0216
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.005 0.0052 0.0351
Mycobacterium leprae Probable lipase LipE 0.0036 0.0009 0.006
Loa Loa (eye worm) hypothetical protein 0.0105 0.0216 0.0711
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0009 0.006
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0216 0.0711
Schistosoma mansoni hypothetical protein 0.0051 0.0054 0.0184
Loa Loa (eye worm) hypothetical protein 0.0052 0.0058 0.0191
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.0045
Mycobacterium tuberculosis Conserved protein 0.0036 0.0009 0.006
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.022 0.0746
Loa Loa (eye worm) hypothetical protein 0.0038 0.0014 0.0045
Plasmodium vivax acyl-CoA synthetase, putative 0.0038 0.0014 0.4459
Trichomonas vaginalis glycogen phosphorylase, putative 0.1007 0.2948 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0186 0.0403
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0019 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0012 0.001
Schistosoma mansoni inositol monophosphatase 0.0037 0.0012 0.004
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0009 0.006
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.0215 0.0465
Entamoeba histolytica glycogen phosphorylase, putative 0.1007 0.2948 1
Loa Loa (eye worm) hypothetical protein 0.0429 0.12 0.3943
Schistosoma mansoni hypothetical protein 0.0043 0.003 0.0103
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0019 0.2397
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0038 0.0014 0.0031
Mycobacterium ulcerans acyl-CoA synthetase 0.005 0.0052 0.0292
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0019 0.0042

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Cytotoxicity against human A549 cells ChEMBL. 17643301
Activity (functional) 0 Cytotoxicity against human HCT8 cells ChEMBL. 17643301
Activity (functional) 0 Cytotoxicity against MDR human KB-VIN cells expressing P-glycoprotein ChEMBL. 17643301
Activity (functional) 0 Cytotoxicity against human 1A9 cells by sulforhodamine B assay ChEMBL. 17643301
Activity (functional) 0 Cytotoxicity against human KB cells by sulforhodamine B assay ChEMBL. 17643301
ED50 (functional) = 0.2 ug ml-1 Cytotoxicity against human A431 cells ChEMBL. 17643301
ED50 (functional) = 0.2 ug ml-1 Cytotoxicity against human A431 cells ChEMBL. 17643301

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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