Detailed information for compound 1744006

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1458.67 | Formula: C59H95N25O15S2
  • H donors: 22 H acceptors: 15 LogP: -11.88 Rotable bonds: 23
    Rule of 5 violations (Lipinski): 4
  • SMILES: COc1ccc(cc1)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC/N=C(\NC(=O)[C@@H](C2(SSC[C@H](NC(=O)[C@@H](NC1=O)CCCN=C(N)N)C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CCCCC2)N)/N)N)Cc1nc[nH]c1
  • InChi: 1S/C59H95N25O15S2/c1-99-33-15-13-31(14-16-33)23-38-49(92)80-36(11-7-20-71-56(64)65)48(91)83-41(52(95)81-37(54(97)98)12-8-21-72-57(66)67)29-100-101-59(17-3-2-4-18-59)45(61)53(96)84-58(68)73-22-5-9-34(60)46(89)74-27-42(85)77-39(24-32-26-69-30-76-32)50(93)79-35(10-6-19-70-55(62)63)47(90)75-28-43(86)78-40(25-44(87)88)51(94)82-38/h13-16,26,30,34-41,45H,2-12,17-25,27-29,60-61H2,1H3,(H,69,76)(H,74,89)(H,75,90)(H,77,85)(H,78,86)(H,79,93)(H,80,92)(H,81,95)(H,82,94)(H,83,91)(H,87,88)(H,97,98)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)(H3,68,73,84,96)/t34-,35-,36-,37-,38-,39-,40-,41-,45-/m0/s1
  • InChiKey: YINCHOOHNDSILR-IVXYTAQASA-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

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 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum ko:K06464 integrin beta 2, putative 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
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma mansoni integrin alpha 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
Schistosoma japonicum IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum ko:K06476 integrin alpha 2B, putative Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus granulosus integrin beta 2 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
Echinococcus multilocularis integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
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
Leishmania major beta tubulin 0.0815 0.2584 1
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Brugia malayi Tubulin alpha-2 chain 0.0491 0.1409 0.124
Echinococcus granulosus Tubulin beta 2C chain 0.0815 0.2584 0.25
Echinococcus granulosus alpha tubulin 0.0491 0.1409 0.1312
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0491 0.1409 0.4979
Echinococcus granulosus tubulin alpha 3 chain 0.0491 0.1409 0.1312
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Brugia malayi beta-tubulin, identical 0.0815 0.2584 0.249
Trypanosoma brucei alpha tubulin, putative 0.022 0.043 0.0793
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0389 0.1042 0.3409
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.0722 0.2041
Trichomonas vaginalis tubulin alpha chain, putative 0.022 0.043 0.0793
Echinococcus multilocularis tubulin alpha chain 0.0491 0.1409 0.1312
Loa Loa (eye worm) tubulin beta chain 0.0815 0.2584 0.2597
Brugia malayi tubulin alpha-2 chain 0.0491 0.1409 0.124
Leishmania major gamma-tubulin 0.0389 0.1042 0.3409
Schistosoma mansoni tubulin subunit alpha 0.0169 0.0245 0.0135
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0301 0.0722 0.0508
Brugia malayi Kelch motif family protein 0.0184 0.0298 0.0057
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Leishmania major beta tubulin 0.0815 0.2584 1
Echinococcus granulosus beta tubulin 0.0815 0.2584 0.25
Giardia lamblia Alpha-tubulin 0.0491 0.1409 0.4979
Toxoplasma gondii beta tubulin 0.0815 0.2584 1
Schistosoma mansoni tubulin subunit alpha 0.0491 0.1409 0.1312
Echinococcus multilocularis integrin alpha 3 0.0472 0.1341 0.1243
Echinococcus multilocularis beta tubulin 0.0815 0.2584 0.25
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0815 0.2584 0.25
Toxoplasma gondii beta-tubulin, putative 0.0815 0.2584 1
Echinococcus granulosus peroxisome assembly protein 26 0.0491 0.1409 0.1312
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0301 0.0722 0.0726
Schistosoma mansoni integrin alpha 0.0616 0.1861 0.1769
Echinococcus granulosus tubulin alpha chain 0.0491 0.1409 0.1312
Schistosoma mansoni integrin alpha-ps 0.0144 0.0153 0.0042
Brugia malayi Tubulin alpha-2 chain 0.0491 0.1409 0.124
Schistosoma mansoni tubulin subunit beta 0.0815 0.2584 0.25
Loa Loa (eye worm) tubulin alpha chain 0.0491 0.1409 0.1417
Onchocerca volvulus 0.022 0.043 1
Trichomonas vaginalis tubulin beta chain, putative 0.0491 0.1409 0.4979
Schistosoma mansoni hypothetical protein 0.0197 0.0348 0.0239
Loa Loa (eye worm) hypothetical protein 0.0491 0.1409 0.1417
Schistosoma mansoni hypothetical protein 0.0197 0.0348 0.0239
Leishmania major beta tubulin 0.0815 0.2584 1
Leishmania major beta tubulin 0.0815 0.2584 1
Plasmodium vivax tubulin alpha chain, putative 0.0491 0.1409 0.4979
Loa Loa (eye worm) BEN-1 protein 0.0815 0.2584 0.2597
Plasmodium falciparum alpha tubulin 2 0.0491 0.1409 0.4979
Leishmania major beta tubulin 0.0815 0.2584 1
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.0348 0.044
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Echinococcus granulosus tubulin alpha 3 chain 0.0491 0.1409 0.1312
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Leishmania major beta tubulin 0.0815 0.2584 1
Giardia lamblia Beta tubulin 0.0815 0.2584 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0815 0.2584 0.25
Echinococcus granulosus microtubule associated protein 2 0.071 0.2203 0.2115
Trichomonas vaginalis tubulin alpha chain, putative 0.022 0.043 0.0793
Brugia malayi alpha-tubulin 0.0491 0.1409 0.124
Echinococcus multilocularis tubulin alpha chain 0.0491 0.1409 0.1312
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Loa Loa (eye worm) beta-tubulin 0.0815 0.2584 0.2597
Brugia malayi Tubulin alpha chain 0.0491 0.1409 0.124
Trypanosoma cruzi tubulin gamma chain 0.0389 0.1042 0.3409
Schistosoma mansoni tubulin subunit beta 0.0815 0.2584 0.25
Trichomonas vaginalis glucosylceramidase, putative 0.0208 0.0386 0.0604
Trypanosoma brucei beta tubulin 0.0815 0.2584 1
Trypanosoma brucei epsilon tubulin 0.0389 0.1042 0.3409
Echinococcus granulosus tubulin alpha chain 0.0491 0.1409 0.1312
Loa Loa (eye worm) integrin alpha pat-2 0.0816 0.2584 0.2598
Trichomonas vaginalis tubulin, putative 0.022 0.043 0.0793
Plasmodium vivax tubulin epsilon chain, putative 0.0389 0.1042 0.3409
Trypanosoma brucei beta tubulin 0.0815 0.2584 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0491 0.1409 0.4979
Schistosoma mansoni tubulin subunit beta 0.0815 0.2584 0.25
Echinococcus granulosus Tubulin beta 2C chain 0.0815 0.2584 0.25
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.0348 0.044
Echinococcus granulosus tubulin beta 4A class IVa 0.0815 0.2584 0.25
Echinococcus multilocularis Tubulin alpha 1 chain 0.0491 0.1409 0.1312
Brugia malayi Integrin alpha pat-2 precursor 0.0616 0.1861 0.172
Leishmania major beta tubulin 0.0815 0.2584 1
Toxoplasma gondii alpha tubulin TUBA1 0.0491 0.1409 0.4979
Echinococcus granulosus tubulin alpha chain 0.0491 0.1409 0.1312
Brugia malayi Raf kinase 0.2765 0.9638 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0169 0.0245 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.0722 0.2041
Trichomonas vaginalis tubulin alpha chain, putative 0.0389 0.1042 0.3409
Trichomonas vaginalis tubulin epsilon chain, putative 0.0815 0.2584 1
Echinococcus multilocularis tubulin epsilon chain 0.0389 0.1042 0.0941
Mycobacterium ulcerans cell division protein FtsZ 0.0169 0.0245 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0815 0.2584 0.25
Schistosoma mansoni alpha tubulin 0.0491 0.1409 0.1312
Leishmania major beta tubulin 0.0815 0.2584 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0815 0.2584 0.25
Trichomonas vaginalis tubulin beta chain, putative 0.0491 0.1409 0.4979
Schistosoma mansoni tubulin subunit beta 0.0815 0.2584 0.25
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0271 0.0612 0.157
Echinococcus granulosus tubulin alpha 1C chain 0.0491 0.1409 0.1312
Trichomonas vaginalis tubulin beta chain, putative 0.0491 0.1409 0.4979
Toxoplasma gondii alpha-tubulin I, putative 0.0491 0.1409 0.4979
Giardia lamblia Alpha-tubulin 0.0491 0.1409 0.4979
Giardia lamblia Beta tubulin 0.0815 0.2584 1
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.0348 0.044
Leishmania major beta tubulin 0.0815 0.2584 1
Echinococcus multilocularis survival motor neuron protein 1 0.0276 0.063 0.0525
Trypanosoma cruzi alpha tubulin, putative 0.0491 0.1409 0.4979
Echinococcus granulosus tubulin epsilon chain 0.0389 0.1042 0.0941
Schistosoma mansoni alpha tubulin 0.0491 0.1409 0.1312
Entamoeba histolytica tubulin alpha-1 chain 0.0491 0.1409 0.2382
Echinococcus multilocularis Tubulin beta 2C chain 0.0815 0.2584 0.25
Echinococcus multilocularis Tubulin alpha 1 chain 0.0491 0.1409 0.1312
Echinococcus granulosus beta tubulin 0.0815 0.2584 0.25
Loa Loa (eye worm) hypothetical protein 0.034 0.0862 0.0866
Treponema pallidum cell division protein FtsZ 0.0169 0.0245 0.5
Mycobacterium leprae cell division protein FtsZ 0.0169 0.0245 0.5
Trypanosoma brucei tubulin gamma chain 0.0389 0.1042 0.3409
Leishmania major beta tubulin 0.0815 0.2584 1
Entamoeba histolytica tubulin alpha chain, putative 0.0491 0.1409 0.2382
Echinococcus multilocularis integrin alpha ps 0.0276 0.0632 0.0526
Echinococcus granulosus survival motor neuron protein 1 0.0276 0.063 0.0525
Trichomonas vaginalis tubulin epsilon chain, putative 0.0815 0.2584 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0491 0.1409 0.1417
Echinococcus multilocularis raf serine:threonine protein kinase 0.2865 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0322 0.0797 0.0801
Loa Loa (eye worm) hypothetical protein 0.0132 0.0112 0.0112
Plasmodium vivax tubulin gamma chain, putative 0.0389 0.1042 0.3409
Echinococcus granulosus tubulin delta chain 0.0169 0.0245 0.0135
Trichomonas vaginalis tubulin beta chain, putative 0.0491 0.1409 0.4979
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0184 0.0298 0.03
Trypanosoma brucei beta tubulin 0.0815 0.2584 1
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Trichomonas vaginalis tubulin alpha chain, putative 0.022 0.043 0.0793
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.0722 0.2041
Trypanosoma cruzi epsilon tubulin, putative 0.0389 0.1042 0.3409
Echinococcus granulosus tubulin alpha 0.0389 0.1042 0.0941
Loa Loa (eye worm) hypothetical protein 0.0276 0.063 0.0634
Trichomonas vaginalis tubulin alpha chain, putative 0.0815 0.2584 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0815 0.2584 0.25
Echinococcus multilocularis tubulin alpha chain 0.0491 0.1409 0.1312
Echinococcus granulosus integrin alpha ps 0.0276 0.0632 0.0526
Schistosoma mansoni microtubule-associated protein tau 0.071 0.2203 0.2115
Loa Loa (eye worm) hypothetical protein 0.0332 0.0835 0.084
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.0722 0.2041
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.0722 0.2041
Echinococcus multilocularis tubulin subunit beta 0.0815 0.2584 0.25
Loa Loa (eye worm) alpha-tubulin 0.0491 0.1409 0.1417
Echinococcus multilocularis Tubulin alpha 1 chain 0.0491 0.1409 0.1312
Loa Loa (eye worm) tubulin beta-2A chain 0.0815 0.2584 0.2597
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.0348 0.044
Echinococcus multilocularis tubulin alpha 3 chain 0.0491 0.1409 0.1312
Loa Loa (eye worm) tubulin alpha 2 0.0322 0.0797 0.0801
Plasmodium falciparum alpha tubulin 1 0.0491 0.1409 0.4979
Entamoeba histolytica tubulin family protein 0.0815 0.2584 1
Trichomonas vaginalis tubulin beta chain, putative 0.0815 0.2584 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0815 0.2584 0.2597
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.0348 0.044
Loa Loa (eye worm) alpha-tubulin 0.0491 0.1409 0.1417
Echinococcus multilocularis tubulin delta chain 0.0169 0.0245 0.0135
Echinococcus granulosus Tubulin beta 2C chain 0.0815 0.2584 0.25
Echinococcus granulosus Tubulin alpha 1 chain 0.0491 0.1409 0.1312
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0332 0.0835 0.0629
Brugia malayi Tubulin gamma chain 0.0389 0.1042 0.0849
Leishmania major beta tubulin 0.0815 0.2584 1
Echinococcus multilocularis hypothetical protein 0.0491 0.1409 0.1312
Echinococcus granulosus tubulin beta 1 chain 0.0815 0.2584 0.25
Echinococcus granulosus Tubulin alpha 1 chain 0.0491 0.1409 0.1312
Echinococcus granulosus integrin beta 2 0.0882 0.2825 0.2744
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0322 0.0797 0.2363
Trichomonas vaginalis tubulin gamma chain, putative 0.0815 0.2584 1
Trichomonas vaginalis glucosylceramidase, putative 0.0208 0.0386 0.0604
Echinococcus multilocularis tubulin alpha 1C chain 0.0491 0.1409 0.1312
Plasmodium vivax tubulin alpha chain, putative 0.0491 0.1409 0.4979
Echinococcus granulosus integrin alpha 3 0.0472 0.1341 0.1243
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.0348 0.044
Echinococcus granulosus Tubulin alpha 1 chain 0.0491 0.1409 0.1312
Schistosoma mansoni tubulin subunit gamma 0.0389 0.1042 0.0941
Trichomonas vaginalis tubulin beta chain, putative 0.0491 0.1409 0.4979
Giardia lamblia Gamma tubulin 0.0389 0.1042 0.3409
Plasmodium falciparum tubulin epsilon chain, putative 0.0389 0.1042 0.3409
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.022 0.043 0.0793
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Loa Loa (eye worm) BEN-1 protein 0.0815 0.2584 0.2597
Trichomonas vaginalis tubulin beta chain, putative 0.022 0.043 0.0793
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.1624 0.5511 0.5539
Loa Loa (eye worm) tubulin gamma chain 0.0389 0.1042 0.1048
Trypanosoma cruzi epsilon tubulin, putative 0.0389 0.1042 0.3409
Trypanosoma brucei alpha tubulin 0.0491 0.1409 0.4979
Plasmodium falciparum tubulin gamma chain 0.0389 0.1042 0.3409
Leishmania major beta tubulin 0.0815 0.2584 1
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Trypanosoma cruzi beta tubulin, putative 0.0815 0.2584 1
Echinococcus multilocularis microtubule associated protein 2 0.071 0.2203 0.2115
Schistosoma mansoni tubulin subunit beta 0.0169 0.0245 0.0135
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.0722 0.2041
Trichomonas vaginalis tubulin epsilon chain, putative 0.0491 0.1409 0.4979
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Echinococcus granulosus tubulin alpha chain 0.0491 0.1409 0.1312
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Trichomonas vaginalis tubulin, putative 0.0815 0.2584 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0815 0.2584 0.2597
Echinococcus granulosus tubulin alpha chain 0.0491 0.1409 0.1312
Schistosoma mansoni serine/threonine protein kinase 0.2865 1 1
Echinococcus multilocularis integrin beta 2 0.0882 0.2825 0.2744
Brugia malayi hypothetical protein 0.0276 0.063 0.041
Leishmania major beta tubulin 0.0815 0.2584 1
Brugia malayi Tubulin beta-1 chain 0.0815 0.2584 0.249
Schistosoma mansoni tubulin subunit beta 0.0815 0.2584 0.25
Echinococcus multilocularis peroxisome assembly protein 26 0.0491 0.1409 0.1312
Loa Loa (eye worm) hypothetical protein 0.0144 0.0153 0.0154
Trypanosoma brucei alpha tubulin 0.0491 0.1409 0.4979
Loa Loa (eye worm) hypothetical protein 0.0322 0.0797 0.0801
Brugia malayi tubulin alpha chain - mouse 0.0491 0.1409 0.124
Brugia malayi Integrin beta pat-3 precursor 0.1196 0.396 0.3955
Loa Loa (eye worm) integrin beta-2 0.1196 0.396 0.3981
Leishmania major beta tubulin 0.0815 0.2584 1
Trichomonas vaginalis tubulin, putative 0.022 0.043 0.0793
Schistosoma mansoni tubulin subunit epsilon 0.0389 0.1042 0.0941
Trypanosoma brucei beta tubulin 0.0815 0.2584 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0389 0.1042 0.3409
Loa Loa (eye worm) hypothetical protein 0.0483 0.1382 0.1389
Trypanosoma brucei epsilon tubulin 0.0389 0.1042 0.3409
Echinococcus granulosus Tubulin beta 2C chain 0.0815 0.2584 0.25
Plasmodium vivax tubulin beta chain, putative 0.0815 0.2584 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0389 0.1042 0.0941
Loa Loa (eye worm) tubulin alpha 2 0.0322 0.0797 0.0801
Giardia lamblia Beta tubulin 0.0815 0.2584 1
Brugia malayi hypothetical protein 0.0184 0.0298 0.0057
Schistosoma mansoni tubulin subunit beta 0.0815 0.2584 0.25
Leishmania major beta tubulin 0.0815 0.2584 1
Schistosoma mansoni integrin beta subunit 0.0698 0.2159 0.2071
Echinococcus multilocularis beta tubulin 0.0815 0.2584 0.25
Echinococcus granulosus tubulin subunit TubB 0.0491 0.1409 0.1312
Echinococcus granulosus tubulin gamma 1 chain 0.0389 0.1042 0.0941
Entamoeba histolytica tubulin family protein 0.0815 0.2584 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0169 0.0245 0.5
Loa Loa (eye worm) tubulin beta chain 0.0169 0.0245 0.0246
Plasmodium falciparum tubulin beta chain 0.0815 0.2584 1
Leishmania major alpha tubulin 0.0491 0.1409 0.4979
Loa Loa (eye worm) hypothetical protein 0.0184 0.0298 0.03
Loa Loa (eye worm) hypothetical protein 0.0271 0.0612 0.0615
Trypanosoma brucei epsilon tubulin 0.0389 0.1042 0.3409
Trypanosoma brucei alpha tubulin 0.0491 0.1409 0.4979
Loa Loa (eye worm) raf kinase 0.2851 0.9949 1
Echinococcus multilocularis tubulin alpha 0.0389 0.1042 0.0941
Schistosoma mansoni alpha tubulin 0.0491 0.1409 0.1312
Leishmania major beta tubulin 0.0815 0.2584 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0271 0.0612 0.0615
Echinococcus multilocularis tubulin beta 1 chain 0.0815 0.2584 0.25
Echinococcus granulosus geminin 0.0197 0.0348 0.0239
Echinococcus multilocularis Tubulin beta 2C chain 0.0815 0.2584 0.25
Trypanosoma brucei alpha tubulin 0.0491 0.1409 0.4979
Schistosoma mansoni tubulin subunit delta 0.0169 0.0245 0.0135
Brugia malayi Tubulin beta chain 0.022 0.043 0.0197
Trypanosoma brucei beta tubulin 0.0389 0.1042 0.3409
Leishmania major beta tubulin 0.0815 0.2584 1
Trichomonas vaginalis tubulin beta chain, putative 0.0491 0.1409 0.4979
Echinococcus granulosus tubulin subunit beta 0.0815 0.2584 0.25
Echinococcus multilocularis tubulin subunit TubB 0.0491 0.1409 0.1312
Leishmania major epsilon tubulin, putative 0.0389 0.1042 0.3409
Echinococcus granulosus tubulin alpha 1C chain 0.0491 0.1409 0.1312
Leishmania major beta tubulin 0.0815 0.2584 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0491 0.1409 0.1312
Echinococcus multilocularis integrin alpha ps 0.0276 0.0632 0.0526
Schistosoma mansoni integrin alpha-ps 0.0276 0.0632 0.0526
Schistosoma mansoni tubulin subunit alpha 0.0491 0.1409 0.1312
Echinococcus multilocularis tubulin alpha chain 0.0491 0.1409 0.1312
Trichomonas vaginalis tubulin gamma chain, putative 0.0389 0.1042 0.3409
Trichomonas vaginalis glucosylceramidase, putative 0.0197 0.0348 0.044
Echinococcus multilocularis geminin 0.0197 0.0348 0.0239
Echinococcus multilocularis tubulin alpha chain 0.0491 0.1409 0.1312
Echinococcus multilocularis tubulin alpha 1C chain 0.0491 0.1409 0.1312
Loa Loa (eye worm) tubulin alpha chain 0.0491 0.1409 0.1417
Schistosoma mansoni tubulin subunit alpha 0.0491 0.1409 0.1312
Toxoplasma gondii beta-1 tubulin, putative 0.0815 0.2584 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.01 uM Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA) ChEMBL. 7507165
IC50 (functional) = 0.4 uM Inhibition of 10 uM ADP induced platelet aggregation in human platelet rich citrated plasma (PRP) ChEMBL. 7507165
IC50 (binding) = 6.8 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.