Detailed information for compound 933556

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1164.46 | Formula: C64H81N11O8S
  • H donors: 8 H acceptors: 9 LogP: 7.38 Rotable bonds: 26
    Rule of 5 violations (Lipinski): 3
  • SMILES: CN[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H]1CCCc2c1cccc2)C(=O)Nc1sc2c(n1)cc(cc2)C(=O)N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](NC)C)C(=O)N[C@@H]1CCCc2c1cccc2)C
  • InChi: 1S/C64H81N11O8S/c1-35(65-9)54(76)71-52(63(3,4)5)60(82)74-33-42-29-40(26-25-39(42)31-49(74)58(80)68-46-23-15-19-37-17-11-13-21-44(37)46)57(79)73-62-70-48-30-41(27-28-51(48)84-62)56(78)67-43-32-50(59(81)69-47-24-16-20-38-18-12-14-22-45(38)47)75(34-43)61(83)53(64(6,7)8)72-55(77)36(2)66-10/h11-14,17-18,21-22,25-30,35-36,43,46-47,49-50,52-53,65-66H,15-16,19-20,23-24,31-34H2,1-10H3,(H,67,78)(H,68,80)(H,69,81)(H,71,76)(H,72,77)(H,70,73,79)/t35-,36-,43-,46+,47+,49-,50-,52+,53+/m0/s1
  • InChiKey: SYZOGRWMVSXFBX-OVCCXHLHSA-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 X-linked inhibitor of apoptosis, E3 ubiquitin protein ligase Starlite/ChEMBL References
Homo sapiens baculoviral IAP repeat containing 2 Starlite/ChEMBL References

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
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0119 0.0489 0.0555
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0119 0.0489 0.0654
Schistosoma mansoni serine/threonine protein kinase 0.0235 0.1379 0.1844
Echinococcus granulosus dual specificity protein kinase clk2 0.0686 0.4845 0.6444
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0393 0.2593 0.523
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0393 0.2593 0.523
Trypanosoma cruzi cdc2-related kinase 3 0.0235 0.1379 0.2657
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.0124 0.0101
Brugia malayi cell division control protein 2 homolog 0.0235 0.1379 0.2375
Schistosoma mansoni serine/threonine protein kinase 0.0686 0.4845 0.6481
Schistosoma mansoni cyclin B 0.0084 0.0215 0.0288
Echinococcus multilocularis cyclin dependent kinase 5 0.0235 0.1379 0.1758
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0136 0.0615 0.0822
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.2593 0.2576
Trichomonas vaginalis cyclin B, putative 0.0084 0.0215 0.0193
Schistosoma mansoni g1/s-specific cyclin C 0.0084 0.0221 0.0295
Echinococcus multilocularis cyclin dependent kinase 0.0235 0.1379 0.1758
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0393 0.2593 0.34
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0811 0.5805 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0136 0.0615 0.104
Brugia malayi Protein kinase domain containing protein 0.0811 0.5805 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0072 0.0124 0.0062
Schistosoma mansoni alpha-glucosidase 0.0162 0.0816 0.1091
Schistosoma mansoni lipoxygenase 0.0136 0.0618 0.0827
Trypanosoma brucei protein kinase, putative 0.008 0.0188 0.0136
Echinococcus granulosus dual specificity 0.0393 0.2593 0.34
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0136 0.0615 0.0822
Trichomonas vaginalis cyclin H, putative 0.0067 0.0089 0.0067
Echinococcus granulosus dual specificity 0.0393 0.2593 0.34
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0099 0.0337 0.0349
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0084 0.0215 0.0193
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0114 0.0451 0.0504
Loa Loa (eye worm) hypothetical protein 0.1029 0.7476 1
Entamoeba histolytica hypothetical protein 0.0067 0.0089 0.003
Echinococcus multilocularis cyclin dependent kinase 1 0.0235 0.1379 0.1758
Schistosoma mansoni lipoxygenase 0.0095 0.0303 0.0406
Onchocerca volvulus Putative sulfate transporter 0.0227 0.1319 0.2273
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0235 0.1379 0.1758
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0564 0.3903 0.8005
Schistosoma mansoni serine/threonine protein kinase 0.0564 0.3903 0.5221
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0119 0.0489 0.0555
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0811 0.5805 0.7741
Trichomonas vaginalis cyclins, putative 0.0084 0.0215 0.0193
Echinococcus multilocularis cyclin dependent kinase 9 0.0074 0.0142 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.1357 1 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1083 0.7892 1
Echinococcus multilocularis survival motor neuron protein 1 0.0273 0.1669 0.215
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.2593 0.2576
Loa Loa (eye worm) cyclin C 0.0084 0.0221 0.0192
Schistosoma mansoni hypothetical protein 0.0114 0.0451 0.0604
Loa Loa (eye worm) hypothetical protein 0.0084 0.0215 0.0185
Echinococcus granulosus mitogen activated protein kinase 0.0072 0.0124 0.0062
Schistosoma mansoni inhibitor of apoptosis protein 0.0114 0.0451 0.0604
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0686 0.4845 0.6444
Entamoeba histolytica protein kinase domain containing protein 0.0119 0.0489 0.1073
Brugia malayi Protein kinase domain containing protein 0.0235 0.1379 0.2375
Schistosoma mansoni serine/threonine protein kinase 0.0393 0.2593 0.3469
Entamoeba histolytica carbonic anhydrase, putative 0.0562 0.3893 0.9974
Echinococcus multilocularis dual specificity 0.0564 0.3903 0.517
Trypanosoma brucei protein kinase, putative 0.0119 0.0489 0.0772
Giardia lamblia Kinase, CMGC CLK 0.0686 0.4845 1
Leishmania major protein kinase, putative 0.0686 0.4845 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0152 0.0738 0.1271
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0564 0.3903 0.8005
Echinococcus multilocularis mitogen activated protein kinase 0.0072 0.0124 0.0062
Echinococcus granulosus cyclin dependent kinase 1 0.0235 0.1379 0.1758
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0136 0.0618 0.073
Echinococcus granulosus cyclin 0.0084 0.0221 0.0192
Entamoeba histolytica cell division protein kinase 2, putative 0.0243 0.1443 0.3568
Echinococcus granulosus dual specificity 0.0393 0.2593 0.34
Plasmodium vivax protein kinase Crk2 0.0235 0.1379 0.2043
Giardia lamblia Kinase, CMGC GSK 0.0119 0.0489 0.0772
Leishmania major cyclin 0.0084 0.0215 0.0193
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0686 0.4845 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.1017 0.1269
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0235 0.1379 0.1758
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.2593 0.2576
Entamoeba histolytica protein kinase domain containing protein 0.0119 0.0489 0.1073
Echinococcus multilocularis carbonic anhydrase II 0.0136 0.0615 0.0725
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0188 0.1017 0.1269
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.0124 0.0101
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0119 0.0489 0.0772
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0078 0.0105
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.2593 0.2576
Giardia lamblia Kinase, CMGC CDK 0.0235 0.1379 0.2657
Schistosoma mansoni serine/threonine protein kinase 0.0235 0.1379 0.1844
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0235 0.1379 0.2657
Brugia malayi cyclin-dependent kinase 9 0.0066 0.0078 0.0135
Brugia malayi hypothetical protein 0.0492 0.3356 0.5782
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0136 0.0615 0.0725
Brugia malayi hypothetical protein 0.0273 0.1669 0.2875
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0564 0.3903 0.8005
Loa Loa (eye worm) hypothetical protein 0.0114 0.0451 0.0504
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.0124 0.0101
Trichomonas vaginalis CMGC family protein kinase 0.0235 0.1379 0.1359
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0235 0.1379 0.2657
Onchocerca volvulus Deterin homolog 0.0114 0.0451 0.0778
Onchocerca volvulus 0.0109 0.0408 0.0702
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0811 0.5805 0.7741
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0119 0.0489 0.0772
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0686 0.4845 1
Echinococcus granulosus cyclin dependent kinase 5 0.0235 0.1379 0.1758
Echinococcus granulosus cyclin B 0.0084 0.0215 0.0185
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0119 0.0489 0.0555
Trypanosoma cruzi cdc2-related kinase 1 0.0235 0.1379 0.2657
Loa Loa (eye worm) hypothetical protein 0.0492 0.3356 0.4431
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0562 0.3893 1
Trichomonas vaginalis CMGC family protein kinase 0.0235 0.1379 0.1359
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0686 0.4845 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0084 0.0215 0.0371
Trichomonas vaginalis cyclin B, putative 0.0084 0.0215 0.0193
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.0489 0.0467
Entamoeba histolytica hypothetical protein 0.0564 0.3903 1
Trichomonas vaginalis CMGC family protein kinase 0.0119 0.0489 0.0467
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0235 0.1379 0.1758
Schistosoma mansoni kinase 0.0066 0.0078 0.0105
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.2593 0.2576
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0114 0.0451 0.0778
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0393 0.2593 0.4468
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0393 0.2593 0.523
Echinococcus multilocularis inhibitor of apoptosis protein 0.0114 0.0451 0.0504
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0136 0.0615 0.104
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0235 0.1379 0.1758
Trichomonas vaginalis CMGC family protein kinase 0.0686 0.4845 0.4833
Entamoeba histolytica protein kinase, putative 0.0393 0.2593 0.6576
Trypanosoma brucei cdc2-related kinase 1 0.0235 0.1379 0.2657
Trichomonas vaginalis CMGC family protein kinase 0.0235 0.1379 0.1359
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0136 0.0615 0.1059
Echinococcus granulosus dual specificity 0.0564 0.3903 0.517
Onchocerca volvulus 0.0114 0.0451 0.0778
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0288 0.1786 0.031
Trichomonas vaginalis CMGC family protein kinase 0.0072 0.0124 0.0101
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.1029 0.7476 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0686 0.4845 1
Trichomonas vaginalis cyclin A, putative 0.0084 0.0215 0.0193
Trichomonas vaginalis conserved hypothetical protein 0.1357 1 1
Echinococcus multilocularis dual specificity 0.0393 0.2593 0.34
Trypanosoma cruzi cdc2-related kinase 3 0.0235 0.1379 0.2657
Entamoeba histolytica protein kinase, putative 0.0119 0.0489 0.1073
Trypanosoma cruzi CYC2-like cyclin, putative 0.0084 0.0215 0.0193
Brugia malayi Glycosyl hydrolases family 31 protein 0.0188 0.1017 0.1752
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0114 0.0451 0.0604
Echinococcus granulosus cyclin dependent kinase 9 0.0074 0.0142 0.0087
Entamoeba histolytica protein kinase, putative 0.0564 0.3903 1
Trichomonas vaginalis cyclin B, putative 0.0084 0.0215 0.0193
Echinococcus multilocularis lysosomal alpha glucosidase 0.0188 0.1017 0.1269
Echinococcus multilocularis dual specificity protein kinase clk2 0.0686 0.4845 0.6444
Echinococcus granulosus survival motor neuron protein 1 0.0273 0.1669 0.215
Entamoeba histolytica protein kinase domain containing protein 0.0393 0.2593 0.6576
Plasmodium falciparum protein serine/threonine kinase-1 0.0686 0.4845 1
Plasmodium falciparum protein kinase 5 0.0235 0.1379 0.2043
Giardia lamblia G2/mitotic-specific cyclin B 0.0084 0.0215 0.0193
Echinococcus granulosus inhibitor of apoptosis protein 0.0114 0.0451 0.0504
Brugia malayi intracellular kinase 0.0119 0.0489 0.0842
Leishmania major protein kinase, putative 0.0686 0.4845 1
Giardia lamblia Kinase, CMGC DYRK 0.0393 0.2593 0.523
Echinococcus multilocularis cyclin dependent kinase 7 0.0099 0.0337 0.0349
Loa Loa (eye worm) cyclin domain-containing protein 0.0152 0.0738 0.0891
Echinococcus granulosus microtubule associated protein 2 0.0796 0.569 0.7585
Trichomonas vaginalis cyclins, putative 0.0084 0.0215 0.0193
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0084 0.0221 0.0192
Entamoeba histolytica cyclin, putative 0.0084 0.0215 0.0359
Trypanosoma cruzi cyclin, putative 0.0084 0.0215 0.0193
Trichomonas vaginalis cyclins, putative 0.0084 0.0215 0.0193
Onchocerca volvulus 0.0084 0.0215 0.0371
Echinococcus multilocularis cyclin B 0.0084 0.0215 0.0185
Brugia malayi MAP kinase sur-1 0.0072 0.0124 0.0214
Loa Loa (eye worm) hypothetical protein 0.0114 0.0451 0.0504
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0537 0.3698 0.3344
Echinococcus granulosus cyclin dependent kinase 7 0.0099 0.0337 0.0349
Trichomonas vaginalis cyclin B, putative 0.0084 0.0215 0.0193
Brugia malayi cyclin-dependent kinase 7 homolog 0.0108 0.0401 0.0691
Loa Loa (eye worm) hypothetical protein 0.0273 0.1669 0.215
Trichomonas vaginalis CMGC family protein kinase 0.0393 0.2593 0.2576
Echinococcus multilocularis dual specificity 0.0393 0.2593 0.34
Trypanosoma cruzi cyclin, putative 0.0084 0.0215 0.0193
Trypanosoma cruzi cyclin 6, putative 0.0084 0.0215 0.0193
Echinococcus multilocularis cyclin dependent kinase 1 0.0235 0.1379 0.1758
Loa Loa (eye worm) carbonic anhydrase 3 0.0136 0.0615 0.0725
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0136 0.0615 0.1059
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0114 0.0451 0.0504
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0686 0.4845 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0811 0.5805 1
Schistosoma mansoni serine/threonine protein kinase 0.0811 0.5805 0.7764
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0235 0.1379 0.2657
Loa Loa (eye worm) hypothetical protein 0.0668 0.4706 0.6255
Loa Loa (eye worm) hypothetical protein 0.0217 0.1239 0.1569
Giardia lamblia Kinase, CMGC GSK 0.0119 0.0489 0.0772
Brugia malayi Protein kinase domain containing protein 0.0686 0.4845 0.8347
Trypanosoma cruzi cdc2-related kinase 1 0.0235 0.1379 0.2657
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0124 0.0166
Echinococcus granulosus hypothetical protein 0.0668 0.4706 0.6255
Loa Loa (eye worm) hypothetical protein 0.0545 0.3764 0.4982
Onchocerca volvulus 0.0119 0.0489 0.0842
Echinococcus multilocularis 0.0668 0.4706 0.6255
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0136 0.0618 0.073
Entamoeba histolytica protein kinase, putative 0.0564 0.3903 1
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0337 0.045
Brugia malayi Protein kinase domain containing protein 0.0564 0.3903 0.6724
Echinococcus granulosus carbonic anhydrase II 0.0136 0.0615 0.0725
Echinococcus granulosus cyclin dependent kinase 0.0235 0.1379 0.1758
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.1029 0.7476 1
Trypanosoma brucei cdc2-related kinase 3 0.0235 0.1379 0.2657
Loa Loa (eye worm) hypothetical protein 0.0492 0.3356 0.4431
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0114 0.0451 0.0778
Schistosoma mansoni microtubule-associated protein tau 0.0796 0.569 0.7611
Loa Loa (eye worm) hypothetical protein 0.0084 0.0215 0.0185
Echinococcus multilocularis microtubule associated protein 2 0.0796 0.569 0.7585
Schistosoma mansoni serine/threonine protein kinase 0.0686 0.4845 0.6481
Trypanosoma brucei carbonic anhydrase-like protein 0.0136 0.0615 0.104
Giardia lamblia Kinase, CMGC CDK 0.0235 0.1379 0.2657
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0084 0.0221 0.0192
Leishmania major carbonic anhydrase-like protein 0.0136 0.0615 0.104
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0686 0.4845 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0072 0.0124 0.0062
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0119 0.0489 0.0555
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0686 0.4845 1
Echinococcus multilocularis dual specificity 0.0393 0.2593 0.34
Trypanosoma brucei mitotic cyclin 6 0.0084 0.0215 0.0193
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0811 0.5805 0.7741
Echinococcus multilocularis cyclin 0.0084 0.0221 0.0192
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.1029 0.7476 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0564 0.3903 0.8005
Entamoeba histolytica cell division protein kinase 2, putative 0.0235 0.1379 0.34
Trichomonas vaginalis cyclins, putative 0.0084 0.0215 0.0193
Entamoeba histolytica protein kinase domain containing protein 0.0564 0.3903 1
Plasmodium vivax serine/threonine kinase-1, putative 0.0686 0.4845 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0072 0.0124 0.0062
Brugia malayi Cyclin C 0.0084 0.0221 0.038
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0564 0.3903 0.517
Onchocerca volvulus 0.0227 0.1319 0.2273
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0393 0.2593 0.523
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0811 0.5805 0.7741
Leishmania major carbonic anhydrase family protein, putative 0.0562 0.3893 0.7984
Brugia malayi Cyclin, N-terminal domain containing protein 0.0084 0.0215 0.0371
Echinococcus granulosus protein kinase shaggy 0.0119 0.0489 0.0555
Schistosoma mansoni carbonic anhydrase 0.0562 0.3893 0.5208
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0119 0.0489 0.0772
Loa Loa (eye worm) hypothetical protein 0.0545 0.3764 0.4982
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.0337 0.045
Echinococcus multilocularis protein kinase shaggy 0.0119 0.0489 0.0555
Echinococcus granulosus lysosomal alpha glucosidase 0.0188 0.1017 0.1269
Schistosoma mansoni alpha-glucosidase 0.0162 0.0816 0.1091

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.9 nM Cytotoxicity against human MDA-MB-231 cells after 4 days by MTS assay ChEMBL. 25278234
IC50 (binding) = 11 nM Inhibition of cIAP1 BIR2-3 (unknown origin) assessed as inhibition of polarization activity using N-His-Tb-cBir2-3(154-352) by fluorescence polarization assay ChEMBL. 25278234
IC50 (binding) = 37 nM Inhibition of XIAP-BIR3 (unknown origin) by HTRF assay ChEMBL. 25278234

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 25278234

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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