Detailed information for compound 405553

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1133.3 | Formula: C47H72N16O13S2
  • H donors: 14 H acceptors: 12 LogP: -5.1 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 4
  • SMILES: COc1ccc(cc1)C[C@@H]1NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)C(NC(=O)CC2(SSC[C@@H](NC(=O)[C@H](NC1=O)CCCN=C(N)N)C(=O)N)CCCC2)CC(=O)N)CC(=O)O
  • InChi: 1S/C47H72N16O13S2/c1-76-26-12-10-25(11-13-26)19-29-41(72)59-28(8-5-17-55-46(52)53)40(71)62-32(38(49)69)24-77-78-47(14-2-3-15-47)22-35(65)58-31(20-34(48)64)44(75)63-18-6-9-33(63)43(74)60-27(7-4-16-54-45(50)51)39(70)56-23-36(66)57-30(21-37(67)68)42(73)61-29/h10-13,27-33H,2-9,14-24H2,1H3,(H2,48,64)(H2,49,69)(H,56,70)(H,57,66)(H,58,65)(H,59,72)(H,60,74)(H,61,73)(H,62,71)(H,67,68)(H4,50,51,54)(H4,52,53,55)/t27-,28-,29+,30-,31?,32-,33+/m0/s1
  • InChiKey: YDVDNQJQARVILW-IVCWMVFISA-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
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Schistosoma mansoni histone deacetylase 4 5 0.3422 0.7011 0.7011
Echinococcus granulosus integrin alpha ps 0.0276 0.0489 0.0489
Trypanosoma brucei histone deacetylase 4 0.3422 0.7011 0.7
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0332 0.0606 0.0598
Echinococcus granulosus twitchin 0.0041 0.0001 0.0001
Schistosoma mansoni integrin alpha-ps 0.0144 0.0215 0.0215
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0062 0.0046 0.0046
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4865 1 1
Echinococcus multilocularis histone deacetylase 6 0.3492 0.7154 0.7154
Trypanosoma brucei histone deacetylase 3 0.3422 0.7011 0.7
Echinococcus multilocularis tyrosine protein kinase Blk 0.0058 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0051 0.0022 0.0017
Schistosoma mansoni tyrosine kinase 0.0062 0.0046 0.0046
Loa Loa (eye worm) TK/EGFR protein kinase 0.3333 0.6826 0.6824
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.3433 0.7032 0.7032
Brugia malayi SRC-1 0.0062 0.0046 0.0038
Trypanosoma brucei Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Echinococcus granulosus histone deacetylase 1 0.4865 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0062 0.0046 0.0046
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1065 0.2125 0.2125
Onchocerca volvulus Histone deacetylase 10 homolog 0.2069 0.4206 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4865 1 1
Schistosoma mansoni histone deacetylase hda2 0.2069 0.4206 0.4206
Schistosoma mansoni tyrosine kinase 0.1851 0.3753 0.3753
Echinococcus granulosus histone deacetylase 0.3422 0.7011 0.7011
Schistosoma mansoni hypothetical protein 0.0132 0.0191 0.0191
Echinococcus granulosus epidermal growth factor receptor 0.1851 0.3753 0.3753
Trypanosoma cruzi histone deacetylase 1, putative 0.4865 1 1
Toxoplasma gondii histone deacetylase HDAC4 0.2069 0.4206 0.4184
Onchocerca volvulus 0.0474 0.0899 0.2022
Brugia malayi Kelch motif family protein 0.0184 0.0298 0.0291
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0069 0.0061 0.0061
Echinococcus multilocularis BRCA1 associated protein 0.0069 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0132 0.0191 0.0186
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0062 0.0046 0.0046
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.1851 0.3753 0.3753
Schistosoma mansoni tyrosine kinase 0.1065 0.2125 0.2125
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Loa Loa (eye worm) histone deacetylase 11 0.2069 0.4206 0.4203
Schistosoma mansoni integrin beta subunit 0.0698 0.1364 0.1364
Brugia malayi Protein kinase domain containing protein 0.1065 0.2125 0.2119
Echinococcus granulosus integrin alpha ps 0.0132 0.0191 0.0191
Echinococcus multilocularis 0.1116 0.2231 0.2231
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0539 0.1033 0.1029
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.0037 0.0037
Echinococcus granulosus insulin receptor 0.1065 0.2125 0.2125
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0062 0.0046 0.0046
Echinococcus granulosus BRCA1 associated protein 0.0069 0.0061 0.0061
Schistosoma mansoni tyrosine kinase 0.1828 0.3706 0.3706
Loa Loa (eye worm) hypothetical protein 0.0184 0.0298 0.0294
Leishmania major histone deacetylase, putative 0.3422 0.7011 0.7
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0051 0.0022 0.0017
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0069 0.0061 0.0061
Loa Loa (eye worm) histone deacetylase 0.3422 0.7011 0.7009
Trypanosoma cruzi histone deacetylase, putative 0.2069 0.4206 0.4184
Schistosoma mansoni histone deacetylase hda2 0.3492 0.7154 0.7154
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0069 0.0061 0.0024
Plasmodium vivax histone deacetylase, putative 0.2069 0.4206 0.4171
Echinococcus multilocularis histone deacetylase 6 0.3422 0.7011 0.7011
Entamoeba histolytica hypothetical protein, conserved 0.3433 0.7032 0.7023
Echinococcus granulosus epidermal growth factor receptor 0.3333 0.6826 0.6826
Loa Loa (eye worm) hypothetical protein 0.0483 0.0919 0.0914
Trichomonas vaginalis brca1-associated protein, putative 0.0069 0.0061 0.0024
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.3433 0.7032 0.7032
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0042 0.0005 0.0005
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0069 0.0061 0.0053
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0069 0.0061 0.0061
Brugia malayi Immunoglobulin I-set domain containing protein 0.0539 0.1033 0.1027
Loa Loa (eye worm) integrin alpha pat-2 0.0816 0.1607 0.1603
Giardia lamblia Hypothetical protein 0.0069 0.0061 0.0024
Giardia lamblia Histone deacetylase 0.4865 1 1
Plasmodium falciparum histone deacetylase 2 0.3422 0.7011 0.6992
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0069 0.0061 0.0056
Loa Loa (eye worm) hypothetical protein 0.4865 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0058 0.0037 0.0037
Echinococcus multilocularis integrin alpha ps 0.0276 0.0489 0.0489
Loa Loa (eye worm) hypothetical protein 0.1422 0.2865 0.2862
Schistosoma mansoni cell adhesion molecule 0.0042 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0069 0.0061 0.0024
Brugia malayi Histone deacetylase 1 0.4865 1 1
Echinococcus granulosus histone deacetylase 7 0.3422 0.7011 0.7011
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0058 0.0037 0.0037
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0184 0.0298 0.0294
Echinococcus multilocularis histone deacetylase 8 0.2069 0.4206 0.4206
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0069 0.0061 0.0024
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Brugia malayi BRCA1-associated protein 2 containing protein 0.0069 0.0061 0.0053
Trypanosoma cruzi histone deacetylase, putative 0.3422 0.7011 0.7
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0058 0.0037 0.0032
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0058 0.0037 0.0037
Echinococcus multilocularis histone deacetylase 6 0.3422 0.7011 0.7011
Schistosoma mansoni tyrosine kinase 0.1065 0.2125 0.2125
Brugia malayi MAP kinase sur-1 0.0058 0.0037 0.0029
Trypanosoma brucei histone deacetylase, putative 0.3422 0.7011 0.7
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0069 0.0061 0.0032
Echinococcus granulosus tyrosine protein kinase Lyn 0.0063 0.0047 0.0047
Entamoeba histolytica DNA repair and recombination protein, putative 0.3433 0.7032 0.7023
Brugia malayi Histone deacetylase family protein 0.3422 0.7011 0.7008
Schistosoma mansoni integrin alpha 0.0616 0.1193 0.1193
Loa Loa (eye worm) TK protein kinase 0.0054 0.0029 0.0024
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Loa Loa (eye worm) hypothetical protein 0.034 0.0621 0.0616
Toxoplasma gondii histone deacetylase HDAC3 0.4865 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0069 0.0061 0.0024
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0069 0.0061 0.0024
Toxoplasma gondii histone deacetylase HDAC1 0.3422 0.7011 0.7
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0069 0.0061 0.0024
Loa Loa (eye worm) hypothetical protein 0.0332 0.0606 0.0601
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0008 0.0003
Echinococcus multilocularis integrin alpha 3 0.0472 0.0895 0.0895
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.3433 0.7032 0.7021
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0069 0.0061 0.0024
Echinococcus granulosus mitogen activated protein kinase 3 0.0058 0.0037 0.0037
Trichomonas vaginalis BRCA1-associated protein, putative 0.0069 0.0061 0.0024
Echinococcus granulosus tyrosine protein kinase HCK 0.0054 0.0029 0.0029
Echinococcus multilocularis histone deacetylase 1 0.4865 1 1
Trypanosoma brucei histone deacetylase 2 0.2069 0.4206 0.4184
Schistosoma mansoni tyrosine kinase 0.0062 0.0046 0.0046
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3433 0.7032 0.7021
Echinococcus granulosus histone deacetylase 6 0.3422 0.7011 0.7011
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0069 0.0061 0.0032
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3433 0.7032 0.7021
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0069 0.0061 0.0024
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0062 0.0046 0.0046
Echinococcus granulosus integrin beta 2 0.0882 0.1745 0.1745
Leishmania major histone deacetylase, putative 0.3422 0.7011 0.7
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0062 0.0046 0.0046
Brugia malayi histone deacetylase 11 0.2069 0.4206 0.4201
Entamoeba histolytica histone deacetylase, putative 0.4865 1 1
Echinococcus granulosus histone deacetylase 6 0.3422 0.7011 0.7011
Echinococcus multilocularis histone deacetylase 0.3422 0.7011 0.7011
Echinococcus multilocularis tyrosine protein kinase HCK 0.0054 0.0029 0.0029
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Echinococcus multilocularis epidermal growth factor receptor 0.1851 0.3753 0.3753
Brugia malayi hypothetical protein 0.0184 0.0298 0.0291
Toxoplasma gondii Zn-finger in ubiquitin-hydrolases domain-containing protein 0.0069 0.0061 0.0024
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0062 0.0046 0.0046
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.3433 0.7032 0.7021
Toxoplasma gondii histone deacetylase HDAC2 0.4865 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0037 0.0037
Toxoplasma gondii histone deacetylase HDAC5 0.2069 0.4206 0.4184
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3433 0.7032 0.7021
Echinococcus multilocularis histone deacetylase 3 0.4865 1 1
Brugia malayi Furin-like cysteine rich region family protein 0.3333 0.6826 0.6823
Echinococcus granulosus tyrosine protein kinase Src42A 0.0062 0.0046 0.0046
Echinococcus multilocularis integrin beta 2 0.0882 0.1745 0.1745
Trypanosoma brucei histone deacetylase 1 0.4865 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.4865 1 1
Loa Loa (eye worm) TK/INSR protein kinase 0.1065 0.2125 0.2121
Trypanosoma cruzi histone deacetylase, putative 0.3422 0.7011 0.7
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0069 0.0061 0.0056
Plasmodium vivax histone deacetylase 2, putative 0.3422 0.7011 0.6992
Schistosoma mansoni tyrosine kinase 0.1851 0.3753 0.3753
Plasmodium falciparum histone deacetylase 1 0.4865 1 1
Echinococcus multilocularis integrin alpha ps 0.0276 0.0489 0.0489
Onchocerca volvulus Tyrosine kinase homolog 0.0504 0.0963 0.2176
Leishmania major hypothetical protein, conserved 0.0069 0.0061 0.0024
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0069 0.0061 0.0024
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0069 0.0061 0.0024
Echinococcus multilocularis epidermal growth factor receptor 0.3333 0.6826 0.6826
Trypanosoma brucei Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Echinococcus granulosus tyrosine kinase 0.0058 0.0037 0.0037
Brugia malayi Integrin alpha pat-2 precursor 0.0616 0.1193 0.1186
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.0037 0.0037
Leishmania major hypothetical protein, conserved 0.0069 0.0061 0.0024
Echinococcus multilocularis roundabout 2 0.0051 0.0022 0.0022
Brugia malayi histone deacetylase 1 (HD1) 0.4865 1 1
Leishmania major histone deacetylase, putative 0.4865 1 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0062 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.1353 0.2722 0.2718
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0069 0.0061 0.0024
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Schistosoma mansoni tyrosine kinase 0.0041 0.0002 0.0002
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.3433 0.7032 0.7021
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.3433 0.7032 0.7021
Schistosoma mansoni hypothetical protein 0.3433 0.7032 0.7032
Schistosoma mansoni tyrosine kinase 0.1828 0.3706 0.3706
Loa Loa (eye worm) hypothetical protein 0.0144 0.0215 0.021
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4865 1 1
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0069 0.0061 0.0053
Echinococcus granulosus histone deacetylase 6 0.3492 0.7154 0.7154
Loa Loa (eye worm) SRC-1 0.0062 0.0046 0.0041
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0069 0.0061 0.0056
Echinococcus granulosus tyrosine protein kinase Blk 0.0058 0.0037 0.0037
Leishmania major histone deacetylase, putative 0.4865 1 1
Schistosoma mansoni tyrosine kinase 0.3333 0.6826 0.6826
Schistosoma mansoni histone deacetylase 4 5 0.3422 0.7011 0.7011
Schistosoma mansoni histone deacetylase 0.4865 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0062 0.0046 0.0046
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Echinococcus granulosus roundabout 2 0.0051 0.0022 0.0022
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0069 0.0061 0.0061
Schistosoma mansoni brca1-associated protein (brap2) 0.0069 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Schistosoma mansoni histone deacetylase 1 2 3 0.2069 0.4206 0.4206
Trypanosoma cruzi histone deacetylase, putative 0.3422 0.7011 0.7
Schistosoma mansoni integrin alpha-ps 0.0276 0.0489 0.0489
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.0069 0.0061 0.0032
Loa Loa (eye worm) histone deacetylase 7A 0.3422 0.7011 0.7009
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3433 0.7032 0.7021
Giardia lamblia Rrm3p helicase 0.3433 0.7032 0.7021
Schistosoma mansoni histone deacetylase 0.4865 1 1
Plasmodium falciparum histone deacetylase, putative 0.3422 0.7011 0.6992
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.0037 0.0037
Echinococcus granulosus histone deacetylase 8 0.2069 0.4206 0.4206
Loa Loa (eye worm) hypothetical protein 0.2069 0.4206 0.4203
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.1065 0.2125 0.2125
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0069 0.0061 0.0024
Loa Loa (eye worm) BRCA1-associated protein 2 containing protein 0.0069 0.0061 0.0056
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0069 0.0061 0.0053
Schistosoma mansoni tyrosine kinase 0.1828 0.3706 0.3706
Schistosoma mansoni brca1-associated protein (brap2) 0.0069 0.0061 0.0061
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0069 0.0061 0.0061
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0069 0.0061 0.0061
Loa Loa (eye worm) integrin beta-2 0.1196 0.2395 0.2392
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0069 0.0061 0.0061
Brugia malayi protein-tyrosine kinase 0.0058 0.0037 0.003
Loa Loa (eye worm) ubiquitin specific peptidase 39 0.0069 0.0061 0.0056
Brugia malayi Histone deacetylase family protein 0.3422 0.7011 0.7008
Trypanosoma cruzi histone deacetylase, putative 0.2069 0.4206 0.4184
Echinococcus multilocularis insulin receptor 0.1065 0.2125 0.2125
Echinococcus granulosus integrin alpha 3 0.0472 0.0895 0.0895
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 22 0.0069 0.0061 0.0061
Echinococcus granulosus histone deacetylase 3 0.4865 1 1
Loa Loa (eye worm) histone deacetylase 3 0.4865 1 1
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Plasmodium vivax histone deacetylase, putative 0.3422 0.7011 0.6992
Echinococcus multilocularis integrin alpha ps 0.0132 0.0191 0.0191
Loa Loa (eye worm) TK protein kinase 0.0058 0.0037 0.0033
Brugia malayi Integrin beta pat-3 precursor 0.1196 0.2395 0.2389
Loa Loa (eye worm) histone deacetylase 1 0.4865 1 1
Echinococcus multilocularis histone deacetylase 7 0.3422 0.7011 0.7011
Plasmodium vivax histone deacetylase 1, putative 0.4865 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.031 uM Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (functional) = 0.17 uM Inhibition of 10 uM ADP induced platelet aggregation in human platelet rich citrated plasma (PRP) ChEMBL. 7507165
IC50 (binding) = 4.9 uM Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (binding) = 5.1 uM Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165

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

1 literature reference was collected for this gene.

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