Detailed information for compound 1744251

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@@H](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-DXHWBXDWSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, alpha 5 (fibronectin receptor, alpha polypeptide) References
Homo sapiens integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) Starlite/ChEMBL References
Homo sapiens integrin, beta 5 Starlite/ChEMBL References
Homo sapiens integrin, alpha V References
Homo sapiens integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) References
Homo sapiens integrin, beta 1 (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06476 integrin alpha 2B, putative Get druggable targets OG5_129341 All targets in OG5_129341
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Brugia malayi Integrin alpha pat-2 precursor Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin alpha Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus multilocularis integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) integrin alpha pat-2 Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis integrin alpha ps integrin, alpha V 1002 aa 908 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei histone deacetylase 2 0.2069 0.4206 0.4184
Echinococcus multilocularis histone deacetylase 1 0.4865 1 1
Schistosoma mansoni tyrosine kinase 0.0062 0.0046 0.0046
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
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 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
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0069 0.0061 0.0024
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.3433 0.7032 0.7021
Echinococcus multilocularis integrin alpha 3 0.0472 0.0895 0.0895
Loa Loa (eye worm) TK protein kinase 0.0054 0.0029 0.0024
Brugia malayi Histone deacetylase family protein 0.3422 0.7011 0.7008
Loa Loa (eye worm) hypothetical protein 0.034 0.0621 0.0616
Schistosoma mansoni integrin alpha 0.0616 0.1193 0.1193
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.3433 0.7032 0.7023
Echinococcus granulosus tyrosine protein kinase Lyn 0.0063 0.0047 0.0047
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0069 0.0061 0.0024
Toxoplasma gondii histone deacetylase HDAC3 0.4865 1 1
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
Brugia malayi BRCA1-associated protein 2 containing protein 0.0069 0.0061 0.0053
Trypanosoma cruzi Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Trypanosoma brucei histone deacetylase, putative 0.3422 0.7011 0.7
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0069 0.0061 0.0032
Schistosoma mansoni tyrosine kinase 0.1065 0.2125 0.2125
Brugia malayi MAP kinase sur-1 0.0058 0.0037 0.0029
Echinococcus multilocularis histone deacetylase 6 0.3422 0.7011 0.7011
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0058 0.0037 0.0037
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0069 0.0061 0.0024
Loa Loa (eye worm) hypothetical protein 0.1422 0.2865 0.2862
Schistosoma mansoni cell adhesion molecule 0.0042 0.0005 0.0005
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 14 0.0069 0.0061 0.0024
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0184 0.0298 0.0294
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0058 0.0037 0.0037
Echinococcus multilocularis histone deacetylase 8 0.2069 0.4206 0.4206
Echinococcus granulosus histone deacetylase 7 0.3422 0.7011 0.7011
Brugia malayi Histone deacetylase 1 0.4865 1 1
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0069 0.0061 0.0056
Plasmodium falciparum histone deacetylase 2 0.3422 0.7011 0.6992
Giardia lamblia Histone deacetylase 0.4865 1 1
Echinococcus multilocularis integrin alpha ps 0.0276 0.0489 0.0489
Loa Loa (eye worm) hypothetical protein 0.4865 1 1
Echinococcus multilocularis tyrosine protein kinase Srms 0.0058 0.0037 0.0037
Loa Loa (eye worm) integrin alpha pat-2 0.0816 0.1607 0.1603
Giardia lamblia Hypothetical protein 0.0069 0.0061 0.0024
Brugia malayi Immunoglobulin I-set domain containing protein 0.0539 0.1033 0.1027
Schistosoma mansoni ubiquitin-specific peptidase 44 (C19 family) 0.0069 0.0061 0.0061
Echinococcus granulosus epidermal growth factor receptor 0.3333 0.6826 0.6826
Entamoeba histolytica hypothetical protein, conserved 0.3433 0.7032 0.7023
Echinococcus multilocularis histone deacetylase 6 0.3422 0.7011 0.7011
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0069 0.0061 0.0053
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0042 0.0005 0.0005
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.3433 0.7032 0.7032
Trichomonas vaginalis brca1-associated protein, putative 0.0069 0.0061 0.0024
Loa Loa (eye worm) hypothetical protein 0.0483 0.0919 0.0914
Trypanosoma cruzi histone deacetylase, putative 0.2069 0.4206 0.4184
Loa Loa (eye worm) histone deacetylase 0.3422 0.7011 0.7009
Echinococcus granulosus u4:u6.u5 tri snrnp associated protein 2 0.0069 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0051 0.0022 0.0017
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Plasmodium vivax histone deacetylase, putative 0.2069 0.4206 0.4171
Toxoplasma gondii ubiquitin specific protease 39 isoform 2, putative 0.0069 0.0061 0.0024
Schistosoma mansoni histone deacetylase hda2 0.3492 0.7154 0.7154
Echinococcus granulosus insulin receptor 0.1065 0.2125 0.2125
Echinococcus granulosus mitogen activated protein kinase 0.0058 0.0037 0.0037
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0539 0.1033 0.1029
Leishmania major histone deacetylase, putative 0.3422 0.7011 0.7
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
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0062 0.0046 0.0046
Schistosoma mansoni integrin beta subunit 0.0698 0.1364 0.1364
Loa Loa (eye worm) histone deacetylase 11 0.2069 0.4206 0.4203
Echinococcus multilocularis 0.1116 0.2231 0.2231
Echinococcus granulosus integrin alpha ps 0.0132 0.0191 0.0191
Brugia malayi Protein kinase domain containing protein 0.1065 0.2125 0.2119
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0062 0.0046 0.0046
Echinococcus multilocularis BRCA1 associated protein 0.0069 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0132 0.0191 0.0186
Schistosoma mansoni family C19 non-peptidase homologue (C19 family) 0.0069 0.0061 0.0061
Brugia malayi Kelch motif family protein 0.0184 0.0298 0.0291
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Schistosoma mansoni tyrosine kinase 0.1065 0.2125 0.2125
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.1851 0.3753 0.3753
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Echinococcus granulosus histone deacetylase 0.3422 0.7011 0.7011
Schistosoma mansoni histone deacetylase hda2 0.2069 0.4206 0.4206
Schistosoma mansoni tyrosine kinase 0.1851 0.3753 0.3753
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4865 1 1
Onchocerca volvulus 0.0474 0.0899 0.2022
Toxoplasma gondii histone deacetylase HDAC4 0.2069 0.4206 0.4184
Echinococcus granulosus epidermal growth factor receptor 0.1851 0.3753 0.3753
Trypanosoma cruzi histone deacetylase 1, putative 0.4865 1 1
Schistosoma mansoni hypothetical protein 0.0132 0.0191 0.0191
Echinococcus granulosus tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0062 0.0046 0.0046
Echinococcus granulosus histone deacetylase 1 0.4865 1 1
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
Onchocerca volvulus Histone deacetylase 10 homolog 0.2069 0.4206 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.1065 0.2125 0.2125
Trypanosoma brucei histone deacetylase 3 0.3422 0.7011 0.7
Echinococcus multilocularis histone deacetylase 6 0.3492 0.7154 0.7154
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4865 1 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.3433 0.7032 0.7032
Loa Loa (eye worm) TK/EGFR protein kinase 0.3333 0.6826 0.6824
Schistosoma mansoni tyrosine kinase 0.0062 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0051 0.0022 0.0017
Echinococcus multilocularis tyrosine protein kinase Blk 0.0058 0.0037 0.0037
Trypanosoma brucei histone deacetylase 4 0.3422 0.7011 0.7
Echinococcus granulosus integrin alpha ps 0.0276 0.0489 0.0489
Schistosoma mansoni histone deacetylase 4 5 0.3422 0.7011 0.7011
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0062 0.0046 0.0046
Schistosoma mansoni integrin alpha-ps 0.0144 0.0215 0.0215
Echinococcus granulosus twitchin 0.0041 0.0001 0.0001
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0332 0.0606 0.0598
Brugia malayi Integrin beta pat-3 precursor 0.1196 0.2395 0.2389
Echinococcus multilocularis integrin alpha ps 0.0132 0.0191 0.0191
Plasmodium vivax histone deacetylase, putative 0.3422 0.7011 0.6992
Loa Loa (eye worm) TK protein kinase 0.0058 0.0037 0.0033
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Loa Loa (eye worm) histone deacetylase 3 0.4865 1 1
Plasmodium vivax histone deacetylase 1, putative 0.4865 1 1
Echinococcus multilocularis histone deacetylase 7 0.3422 0.7011 0.7011
Loa Loa (eye worm) histone deacetylase 1 0.4865 1 1
Brugia malayi protein-tyrosine kinase 0.0058 0.0037 0.003
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 5 0.0069 0.0061 0.0061
Loa Loa (eye worm) integrin beta-2 0.1196 0.2395 0.2392
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
Echinococcus multilocularis insulin receptor 0.1065 0.2125 0.2125
Trypanosoma cruzi histone deacetylase, putative 0.2069 0.4206 0.4184
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
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
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
Schistosoma mansoni ubiquitin-specific peptidase 5 (C19 family) 0.0069 0.0061 0.0061
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 22 0.0069 0.0061 0.0061
Schistosoma mansoni brca1-associated protein (brap2) 0.0069 0.0061 0.0061
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
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase 5, putative 0.0069 0.0061 0.0032
Schistosoma mansoni integrin alpha-ps 0.0276 0.0489 0.0489
Loa Loa (eye worm) histone deacetylase 7A 0.3422 0.7011 0.7009
Trypanosoma cruzi histone deacetylase, putative 0.3422 0.7011 0.7
Loa Loa (eye worm) hypothetical protein 0.2069 0.4206 0.4203
Echinococcus granulosus histone deacetylase 8 0.2069 0.4206 0.4206
Plasmodium falciparum histone deacetylase, putative 0.3422 0.7011 0.6992
Echinococcus multilocularis mitogen activated protein kinase 3 0.0058 0.0037 0.0037
Schistosoma mansoni histone deacetylase 0.4865 1 1
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Echinococcus granulosus roundabout 2 0.0051 0.0022 0.0022
Leishmania major histone deacetylase, putative 0.4865 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0062 0.0046 0.0046
Schistosoma mansoni histone deacetylase 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 1 2 3 0.2069 0.4206 0.4206
Schistosoma mansoni brca1-associated protein (brap2) 0.0069 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Echinococcus multilocularis u4:u6.u5 tri snrnp associated protein 2 0.0069 0.0061 0.0061
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0069 0.0061 0.0056
Loa Loa (eye worm) SRC-1 0.0062 0.0046 0.0041
Echinococcus granulosus histone deacetylase 6 0.3492 0.7154 0.7154
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0069 0.0061 0.0053
Loa Loa (eye worm) hypothetical protein 0.0144 0.0215 0.021
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.4865 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0058 0.0037 0.0037
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.3433 0.7032 0.7021
Trichomonas vaginalis conserved hypothetical protein 0.3433 0.7032 0.7021
Schistosoma mansoni tyrosine kinase 0.1828 0.3706 0.3706
Schistosoma mansoni hypothetical protein 0.3433 0.7032 0.7032
Trypanosoma cruzi Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative 0.0069 0.0061 0.0024
Toxoplasma gondii UBA/TS-N domain-containing protein 0.0069 0.0061 0.0024
Loa Loa (eye worm) hypothetical protein 0.1353 0.2722 0.2718
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0062 0.0046 0.0046
Schistosoma mansoni tyrosine kinase 0.0041 0.0002 0.0002
Trichomonas vaginalis histone deacetylase, putative 0.4865 1 1
Leishmania major histone deacetylase, putative 0.4865 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.4865 1 1
Echinococcus multilocularis roundabout 2 0.0051 0.0022 0.0022
Echinococcus multilocularis mitogen activated protein kinase 0.0058 0.0037 0.0037
Leishmania major hypothetical protein, conserved 0.0069 0.0061 0.0024
Leishmania major hypothetical protein, conserved 0.0069 0.0061 0.0024
Onchocerca volvulus Tyrosine kinase homolog 0.0504 0.0963 0.2176
Echinococcus multilocularis integrin alpha ps 0.0276 0.0489 0.0489
Plasmodium falciparum histone deacetylase 1 0.4865 1 1
Schistosoma mansoni tyrosine kinase 0.1851 0.3753 0.3753
Brugia malayi Integrin alpha pat-2 precursor 0.0616 0.1193 0.1186
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
Echinococcus multilocularis epidermal growth factor receptor 0.3333 0.6826 0.6826
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0069 0.0061 0.0024
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0069 0.0061 0.0024
Loa Loa (eye worm) TK/INSR protein kinase 0.1065 0.2125 0.2121
Trypanosoma cruzi histone deacetylase 1, putative 0.4865 1 1
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
Trypanosoma cruzi histone deacetylase, putative 0.3422 0.7011 0.7
Echinococcus multilocularis integrin beta 2 0.0882 0.1745 0.1745
Trypanosoma brucei histone deacetylase 1 0.4865 1 1
Toxoplasma gondii histone deacetylase HDAC5 0.2069 0.4206 0.4184
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
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
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 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 multilocularis tyrosine protein kinase Fyn 0.0062 0.0046 0.0046
Echinococcus multilocularis tyrosine protein kinase HCK 0.0054 0.0029 0.0029
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.0037 0.0037
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.3433 0.7032 0.7021
Toxoplasma gondii histone deacetylase HDAC2 0.4865 1 1
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
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, 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
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
Echinococcus multilocularis histone deacetylase 0.3422 0.7011 0.7011
Entamoeba histolytica histone deacetylase, putative 0.4865 1 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0062 0.0046 0.0046
Brugia malayi histone deacetylase 11 0.2069 0.4206 0.4201
Echinococcus granulosus integrin beta 2 0.0882 0.1745 0.1745
Leishmania major histone deacetylase, putative 0.3422 0.7011 0.7

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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 7507165

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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