Detailed information for compound 1174432

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 601.857 | Formula: C36H59NO6
  • H donors: 4 H acceptors: 5 LogP: 6.36 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCC(NC(=O)[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)OC(=O)C)C(=C)C)(CO)CO
  • InChi: 1S/C36H59NO6/c1-22(2)24-11-16-36(30(42)37-35(19-38,20-39)21-40)18-17-33(7)25(29(24)36)9-10-27-32(6)14-13-28(43-23(3)41)31(4,5)26(32)12-15-34(27,33)8/h24-29,38-40H,1,9-21H2,2-8H3,(H,37,42)/t24-,25+,26-,27+,28-,29+,32-,33+,34+,36-/m0/s1
  • InChiKey: GTMDISZHIGCERM-DRSBITMPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0037 0.0045
Brugia malayi hypothetical protein 0.0025 0.0037 0.0037
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0023 0.0049
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0023 0.0022
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0061 0.0061
Echinococcus granulosus geminin 0.0169 0.0408 0.0943
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0037 0.0084
Echinococcus granulosus dna polymerase eta 0.002 0.0023 0.0052
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0357 0.0891 0.0891
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0029 0.0048 0.0048
Echinococcus granulosus lamin dm0 0.0019 0.0021 0.0049
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0053
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0073 0.0117
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0061 0.0038
Plasmodium vivax SET domain protein, putative 0.0029 0.0048 0.011
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.169 0.4323 0.431
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0939 0.2389 0.5502
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0023 0.0036
Schistosoma mansoni cpg binding protein 0.0029 0.0047 0.0106
Trypanosoma brucei ubiquitin-protein ligase, putative 0.169 0.4323 1
Echinococcus granulosus cpg binding protein 0.0031 0.0051 0.0119
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0023 0.0052
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA14 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.0306 0.0761 0.074
Echinococcus granulosus peregrin 0.0028 0.0045 0.0104
Echinococcus granulosus pyruvate kinase 0.0034 0.0061 0.0141
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.3896 1 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.169 0.4323 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0117 0.023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 0.0557 0.1287
Onchocerca volvulus 0.0029 0.0047 0.0026
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0064 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0227 0.0557 0.129
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.021 0.0485
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0045 0.0063
Echinococcus granulosus pyruvate kinase 0.0018 0.0018 0.0041
Schistosoma mansoni hypothetical protein 0.0169 0.0408 0.094
Loa Loa (eye worm) hypothetical protein 0.0357 0.0891 0.0891
Echinococcus multilocularis GPCR, family 2 0.0031 0.0053 0.0085
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.169 0.4323 1
Brugia malayi hypothetical protein 0.0154 0.037 0.0369
Echinococcus multilocularis pyruvate kinase 0.0018 0.0018 0.0028
Loa Loa (eye worm) hypothetical protein 0.0154 0.037 0.0369
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.169 0.4323 0.431
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0064 0.0149
Onchocerca volvulus 0.0029 0.0048 0.0027
Echinococcus multilocularis pyruvate kinase 0.0018 0.0018 0.0028
Echinococcus multilocularis lamin dm0 0.0019 0.0021 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Echinococcus multilocularis geminin 0.0169 0.0408 0.0652
Brugia malayi hypothetical protein 0.0016 0.0014 0.0014
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0037 0.0084
Giardia lamblia DINP protein human, muc B family 0.002 0.0023 0.0005
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0044 0.0101
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.169 0.4323 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.0419 0.0419
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0048 0.0108
Echinococcus multilocularis cpg binding protein 0.0031 0.0051 0.0082
Plasmodium falciparum pyruvate kinase 2 0.0018 0.0018 0.004
Loa Loa (eye worm) hypothetical protein 0.0028 0.0045 0.0045
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0045 0.0063
Brugia malayi jmjC domain containing protein 0.0092 0.021 0.0209
Echinococcus multilocularis pyruvate kinase 0.0027 0.0042 0.0067
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0001 0.0003
Echinococcus multilocularis pyruvate kinase 0.0034 0.0061 0.0097
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0023 0.0036
Echinococcus granulosus intermediate filament protein 0.0019 0.0021 0.0049
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0048 0.0112
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.169 0.4323 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0023 0.0049
Loa Loa (eye worm) hypothetical protein 0.0048 0.0097 0.0096
Leishmania major C-8 sterol isomerase-like protein 0.0357 0.0891 0.2019
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.3896 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0048 0.0108
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0037 0.007
Trypanosoma brucei hypothetical protein, conserved 0.0939 0.2389 0.5518
Schistosoma mansoni cpg binding protein 0.0031 0.0051 0.0116
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.169 0.4323 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0053 0.0053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0227 0.0557 0.0892
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0001 0.0002
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0023 0.0022
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0061 0.004
Brugia malayi ubiquitin conjugating enzyme protein 13 0.169 0.4323 0.4323
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.169 0.4323 0.4323
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0061 0.0061
Plasmodium vivax pyruvate kinase 2, putative 0.0018 0.0018 0.004
Giardia lamblia Pyruvate kinase 0.0034 0.0061 0.0043
Echinococcus multilocularis dna polymerase kappa 0.002 0.0023 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0169 0.0407 0.0385
Schistosoma mansoni hypothetical protein 0.0031 0.0053 0.012
Echinococcus multilocularis dna polymerase eta 0.002 0.0023 0.0036
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0045 0.0102
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.169 0.4323 0.4323
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0061 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.006 0.0096
Trypanosoma brucei hypothetical protein, conserved 0.0939 0.2389 0.5518
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0053 0.0085
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.169 0.4323 0.4323
Chlamydia trachomatis pyruvate kinase 0.0034 0.0061 0.5
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0061 0.0061
Schistosoma mansoni hypothetical protein 0.0031 0.0053 0.012
Schistosoma mansoni intermediate filament proteins 0.0019 0.0021 0.0046
Schistosoma mansoni pyruvate kinase 0.0018 0.0018 0.0038
Brugia malayi CXXC zinc finger family protein 0.0029 0.0047 0.0047
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0227 0.0557 0.0892
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0048 0.0108
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.002 0.0023 0.0022
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.3896 1 1
Echinococcus multilocularis dnaJ subfamily B 0.0289 0.0715 0.1144
Leishmania major hypothetical protein, conserved 0.0025 0.0037 0.0034
Loa Loa (eye worm) hypothetical protein 0.0024 0.0034 0.0034
Plasmodium falciparum pyruvate kinase 0.0034 0.0061 0.0139
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.3896 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0053 0.0085
Echinococcus granulosus GPCR family 2 0.0031 0.0053 0.0123
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0053 0.0123
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0228 0.0228
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0019 0.0021 0.0021
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.3896 1 1
Schistosoma mansoni hypothetical protein 0.0289 0.0715 0.1652
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0022 0.0021
Entamoeba histolytica protein tyrosine phosphatase, putative 0.3896 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0023 0.0049
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0061 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Echinococcus granulosus pyruvate kinase 0.0034 0.0061 0.0141
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0048 0.0108
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0061 0.01
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0048 0.0077
Brugia malayi Bromodomain containing protein 0.0028 0.0045 0.0045
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0045 0.0045
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0174 0.0419 0.0419
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.169 0.4323 0.6914
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0061 0.0089
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0045 0.0072
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0064 0.0146
Echinococcus multilocularis pyruvate kinase 0.0034 0.0061 0.0097
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0073 0.0169
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0048 0.0071
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0053 0.0053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 0.0557 0.1287
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0357 0.0891 0.2019
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0939 0.2389 0.5502
Onchocerca volvulus 0.3896 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0442 0.0442
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0061 0.0125
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0023 0.0022
Schistosoma mansoni hypothetical protein 0.0169 0.0408 0.094
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Loa Loa (eye worm) intermediate filament protein 0.0019 0.0021 0.0021
Onchocerca volvulus 0.0229 0.0563 0.0543
Echinococcus granulosus pyruvate kinase 0.0018 0.0018 0.0041
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0939 0.2389 0.5502
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.3896 1 1
Brugia malayi Pre-SET motif family protein 0.0202 0.0491 0.0491
Schistosoma mansoni hypothetical protein 0.0031 0.0053 0.012
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0939 0.2389 0.5502
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0023 0.0036
Entamoeba histolytica protein tyrosine phosphatase, putative 0.3896 1 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.169 0.4323 0.431
Onchocerca volvulus Alhambra homolog 0.0028 0.0045 0.0024
Brugia malayi PHD-finger family protein 0.0028 0.0045 0.0045
Echinococcus multilocularis musashi 0.0019 0.0021 0.0034
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0061 0.0061
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0064 0.0064
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Echinococcus granulosus lamin 0.0019 0.0021 0.0049
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0061 0.0089
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0045 0.0104
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0161 0.0369
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.3896 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0023 0.0036
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0053 0.0053
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0061 0.0061
Mycobacterium leprae Probable pyruvate kinase PykA 0.0034 0.0061 0.5
Schistosoma mansoni pyruvate kinase 0.0034 0.0061 0.0138
Schistosoma mansoni hypothetical protein 0.0031 0.0053 0.012
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0037 0.0084
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0061 0.0125
Plasmodium falciparum phd finger protein, putative 0.0028 0.0045 0.0102
Echinococcus granulosus dna polymerase kappa 0.002 0.0023 0.0052
Echinococcus granulosus pyruvate kinase 0.0018 0.0018 0.0041
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.0491 0.0491
Echinococcus multilocularis peregrin 0.0028 0.0045 0.0072
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0017 0.0037
Schistosoma mansoni hypothetical protein 0.0068 0.0147 0.0338
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0045 0.0101
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0034 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0227 0.0557 0.1287
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0227 0.0557 0.0557
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0061 0.0038
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0037 0.0034
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.169 0.4323 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0037 0.0034
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0061 0.0038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0048 0.0077
Loa Loa (eye worm) hypothetical protein 0.0034 0.0061 0.0061
Echinococcus granulosus dnaJ subfamily B 0.0289 0.0715 0.1655
Brugia malayi intermediate filament protein 0.0019 0.0021 0.0021
Echinococcus multilocularis lamin 0.0019 0.0021 0.0034
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0053 0.0123
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.169 0.4323 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0023 0.0036
Leishmania major pyruvate kinase 0.0034 0.0061 0.0089
Brugia malayi Intermediate filament tail domain containing protein 0.0019 0.0021 0.0021
Brugia malayi jmjC domain containing protein 0.0036 0.0064 0.0064
Schistosoma mansoni lamin 0.0019 0.0021 0.0046
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.3896 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0134 0.0306
Trypanosoma brucei C-8 sterol isomerase, putative 0.0357 0.0891 0.2048
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0147 0.0147
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.244 0.6252 1
Giardia lamblia PHD finger protein 15 0.0028 0.0045 0.0027
Schistosoma mansoni lamin 0.0019 0.0021 0.0046
Echinococcus multilocularis pyruvate kinase 0.0018 0.0018 0.0028
Schistosoma mansoni hypothetical protein 0.0028 0.0045 0.0101
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0122 0.0122
Brugia malayi Pre-SET motif family protein 0.0029 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0025 0.0037 0.0037
Trypanosoma brucei unspecified product 0.002 0.0023 0.0036
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0227 0.0557 0.0557
Leishmania major pyruvate kinase 0.0034 0.0061 0.0089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0228 0.0228
Onchocerca volvulus 0.0154 0.037 0.0349
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.021 0.0336
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.0939 0.2389 0.5518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0227 0.0557 0.129
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.3896 1 1
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0061 0.0139
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.3896 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0147 0.0147
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.169 0.4323 1
Schistosoma mansoni cpg binding protein 0.0031 0.0051 0.0116
Trichomonas vaginalis set domain proteins, putative 0.0229 0.0563 0.0542
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0023 0.0036
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0034 0.0011
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.002
Schistosoma mansoni pyruvate kinase 0.0034 0.0061 0.0138
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0228 0.0228
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0939 0.2389 0.5502
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0061 0.004
Loa Loa (eye worm) hypothetical protein 0.0099 0.0228 0.0228

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 10.03 uM Cytotoxicity against human HT-29 cells after 96 hrs by SRB colorimetric assay ChEMBL. 20472329
IC50 (functional) = 10.1 uM Cytotoxicity against human A2780 cells after 96 hrs by SRB colorimetric assay ChEMBL. 20472329
IC50 (functional) = 10.24 uM Cytotoxicity against human SW1736 cells after 96 hrs by SRB colorimetric assay ChEMBL. 20472329
IC50 (functional) = 10.34 uM Cytotoxicity against human A431 cells after 96 hrs by SRB colorimetric assay ChEMBL. 20472329
IC50 (functional) = 29.4 uM Cytotoxicity against human MCF7 cells after 96 hrs by SRB colorimetric assay ChEMBL. 20472329
IC50 (functional) = 30.52 uM Cytotoxicity against human A549 cells after 96 hrs by SRB colorimetric assay ChEMBL. 20472329

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20472329

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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