Detailed information for compound 13649

Basic information

Technical information
  • TDR Targets ID: 13649
  • Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydrox ymethyl)-4-sulfanyloxolan-3-ol
  • MW: 283.307 | Formula: C10H13N5O3S
  • H donors: 3 H acceptors: 5 LogP: -0.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)S)n1cnc2c1ncnc2N
  • InChi: 1S/C10H13N5O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(19)6(17)4(1-16)18-10/h2-4,6-7,10,16-17,19H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
  • InChiKey: VLRCFULRQZKFRM-KQYNXXCUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-3-ol
  • (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-mercapto-3-tetrahydrofuranol
  • (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-sulfanyl-oxolan-3-ol
  • (2R,3R,4R,5R)-5-adenin-9-yl-4-mercapto-2-methylol-tetrahydrofuran-3-ol
  • (2R,3R,4R,5R)-5-(6-amino-9-purinyl)-2-(hydroxymethyl)-4-mercapto-3-tetrahydrofuranol
  • (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-mercapto-2-methylol-tetrahydrofuran-3-ol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
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
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Schistosoma mansoni tyrosine kinase 0.0058 0.0562 0.1433
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0077 0.1002 0.2705
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0197 0.3705 0.4692
Treponema pallidum penicillin-binding protein (pbp-2) 0.0112 0.1789 0.2214
Mycobacterium tuberculosis Probable pyrimidine operon regulatory protein PyrR 0.0046 0.0302 0.0339
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0046 0.0302 0.0592
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3705 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0077 0.1002 0.0969
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3705 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0077 0.1002 0.2705
Schistosoma mansoni tyrosine kinase 0.0096 0.1426 0.3786
Schistosoma mansoni tyrosine kinase 0.0097 0.1449 0.3849
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0214 0.4099 0.5196
Loa Loa (eye worm) hypothetical protein 0.0077 0.1002 0.0969
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0046 0.0302 0.0339
Mycobacterium leprae PROBABLE OROTATE PHOSPHORIBOSYLTRANSFERASE PYRE (OPRT) (OPRTASE) 0.0046 0.0302 0.0339
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0077 0.1002 0.2631
Chlamydia trachomatis transglycolase/transpeptidase 0.0384 0.795 1
Leishmania major adenine phosphoribosyltransferase 0.0046 0.0302 0.0723
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0077 0.1002 0.2705
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.3332 0.3307
Echinococcus granulosus transcription factor btf3 0.0038 0.0109 0.0295
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0109 0.0198
Onchocerca volvulus 0.0233 0.4518 0.4498
Treponema pallidum adenine phosphoribosyltransferase 0.0046 0.0302 0.0335
Brugia malayi beta-NAC-like protein 0.0038 0.0109 0.0073
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Brugia malayi hypothetical protein 0.0039 0.0134 0.0097
Loa Loa (eye worm) calcium channel 0.0077 0.1002 0.0969
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3705 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0109 0.0162
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3705 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0077 0.1002 0.2631
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0109 0.0162
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0112 0.1789 0.2241
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3705 1
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.038 0.7854 1
Entamoeba histolytica transcription factor BTF3, putative 0.0038 0.0109 0.7467
Echinococcus granulosus ETHE1 protein 0.0034 0.0037 0.01
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0046 0.0302 0.0723
Mycobacterium tuberculosis Conserved protein 0.0046 0.0302 0.0339
Trypanosoma brucei transcription factor BTF3, putative 0.0038 0.0109 0.0198
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Echinococcus multilocularis voltage dependent calcium channel 0.0077 0.1002 0.2705
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0047 0.032 0.0773
Trichomonas vaginalis set domain proteins, putative 0.0233 0.4518 1
Giardia lamblia Adenine phosphoribosyltransferase 0.0046 0.0302 0.0723
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0112 0.1789 0.2241
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3705 1
Schistosoma mansoni tyrosine kinase 0.0058 0.0562 0.1433
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0077 0.1002 0.2705
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3705 1
Schistosoma mansoni hypothetical protein 0.0039 0.0134 0.0265
Entamoeba histolytica hypothetical protein 0.0039 0.0134 1
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.1449 0.391
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3705 1
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3705 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0058 0.0562 0.1518
Echinococcus multilocularis ETHE1 protein 0.0034 0.0037 0.01
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0077 0.1002 0.2705
Schistosoma mansoni lozenge 0.006 0.0609 0.1559
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0134 0.0362
Mycobacterium leprae AMIDOPHOSPHORIBOSYLTRANSFERASE PURF (GLUTAMINE PHOSPHORIBOSYLPYROPHOSPHATE AMIDOTRANSFERASE) (ATASE) (GPATASE) 0.0046 0.0302 0.0339
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0058 0.0562 0.1518
Schistosoma mansoni uracil phosphoribosyltransferase 0.0046 0.0302 0.0723
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0134 0.0265
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3705 1
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0034 0.0037 0.01
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0109 0.0198
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0151 0.2665 0.3361
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0046 0.0302 0.0335
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.388 0.3857
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0282 0.5639 0.7167
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Plasmodium vivax basic transcription factor 3b, putative 0.0038 0.0109 0.0198
Entamoeba histolytica hypothetical protein 0.0039 0.0134 1
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0112 0.1789 0.2241
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3705 1
Echinococcus multilocularis 0.0056 0.0522 0.1408
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3705 1
Echinococcus multilocularis Protein lozenge 0.006 0.0609 0.1643
Plasmodium vivax orotate phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3705 1
Echinococcus granulosus zinc phosphodiesterase 0.0034 0.0037 0.01
Onchocerca volvulus 0.0475 1 1
Entamoeba histolytica hypothetical protein 0.0039 0.0134 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3705 1
Mycobacterium ulcerans adenine phosphoribosyltransferase 0.0046 0.0302 0.0339
Entamoeba histolytica hypothetical protein 0.0039 0.0134 1
Brugia malayi orotate phosphoribosyltransferase family protein 0.0046 0.0302 0.0266
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0112 0.1789 0.2241
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0046 0.0302 0.0339
Toxoplasma gondii orotate phosphoribosyltransferase 0.0046 0.0302 0.0723
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.1789 0.391
Treponema pallidum hypothetical protein 0.0046 0.0302 0.0335
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0046 0.0302 0.0723
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0046 0.0302 0.0723
Treponema pallidum penicillin-binding protein (pbp-3) 0.0214 0.4099 0.5134
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0077 0.1002 0.2705
Schistosoma mansoni tyrosine kinase 0.018 0.3332 0.8984
Schistosoma mansoni voltage-gated cation channel 0.0077 0.1002 0.2631
Brugia malayi Adenine phosphoribosyltransferase 0.0046 0.0302 0.0266
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.3332 0.8994
Mycobacterium tuberculosis Adenine phosphoribosyltransferase Apt (APRT) (AMP diphosphorylase) (AMP pyrophosphorylase) (transphosphoribosidase) 0.0046 0.0302 0.0339
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0197 0.3705 1
Giardia lamblia Guanine phosphoribosyltransferase 0.0197 0.3705 1
Chlamydia trachomatis transglycolase/transpeptidase 0.0112 0.1789 0.2214
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0047 0.032 0.0773
Leishmania major xanthine phosphoribosyltransferase 0.0197 0.3705 1
Loa Loa (eye worm) runx1 0.006 0.0609 0.0574
Onchocerca volvulus 0.0197 0.3705 0.3681
Mycobacterium tuberculosis Amidophosphoribosyltransferase PurF (glutamine phosphoribosylpyrophosphate amidotransferase) (ATASE) (gpatase) 0.0046 0.0302 0.0339
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0384 0.795 1
Echinococcus granulosus epidermal growth factor receptor 0.018 0.3332 0.8994
Treponema pallidum penicillin-binding protein (pbp-1) 0.0384 0.795 1
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0112 0.1789 0.2241
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0046 0.0302 0.0335
Echinococcus multilocularis insulin receptor 0.0058 0.0562 0.1518
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0197 0.3705 0.3681
Plasmodium falciparum basic transcription factor 3b, putative 0.0038 0.0109 0.0198
Brugia malayi Protein kinase domain containing protein 0.0058 0.0562 0.0527
Echinococcus granulosus adenine phosphoribosyltransferase 0.0046 0.0302 0.0815
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.1449 0.391
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0109 0.0162
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.0046 0.0302 0.0723
Schistosoma mansoni tyrosine kinase 0.0096 0.1426 0.3786
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0046 0.0302 0.0815
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0046 0.0302 0.0723
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0046 0.0302 0.0266
Entamoeba histolytica hypothetical protein 0.0038 0.0109 0.7467
Mycobacterium ulcerans hypothetical protein 0.0046 0.0302 0.0339
Echinococcus granulosus uridine 5' monophosphate synthase 0.0046 0.0302 0.0815
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.1449 0.391
Schistosoma mansoni transcription factor btf3 0.0038 0.0109 0.0198
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0046 0.0302 0.0815
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0046 0.0302 0.0723
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0151 0.2665 0.3361
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0077 0.1002 0.2705
Loa Loa (eye worm) ICD-1 protein 0.0038 0.0109 0.0073
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0034 0.0037 0.01
Trypanosoma cruzi Adenine phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Brugia malayi Pre-SET motif family protein 0.0204 0.388 0.3857
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3705 0.8185
Plasmodium falciparum orotate phosphoribosyltransferase 0.0046 0.0302 0.0723
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0046 0.0302 0.0335
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0034 0.0037 0.01
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0046 0.0302 0.0592
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.038 0.7854 1
Echinococcus multilocularis zinc phosphodiesterase 0.0034 0.0037 0.01
Mycobacterium ulcerans bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase 0.0046 0.0302 0.0339
Loa Loa (eye worm) TK/INSR protein kinase 0.0058 0.0562 0.0527
Toxoplasma gondii NAC domain-containing protein 0.0038 0.0109 0.0198
Echinococcus multilocularis transcription factor btf3 0.0038 0.0109 0.0295
Onchocerca volvulus Adenine phosphoribosyltransferase homolog 0.0046 0.0302 0.0266
Echinococcus multilocularis voltage dependent calcium channel 0.0077 0.1002 0.2705
Echinococcus granulosus insulin receptor 0.0058 0.0562 0.1518
Mycobacterium ulcerans amidophosphoribosyltransferase 0.0046 0.0302 0.0339
Mycobacterium tuberculosis Conserved protein 0.0046 0.0302 0.0339
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0034 0.0037 0.01
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0034 0.0037 0.01
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0282 0.5639 0.7167
Echinococcus granulosus voltage dependent calcium channel 0.0077 0.1002 0.2705
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0134 0.0362
Schistosoma mansoni tyrosine kinase 0.0097 0.1449 0.3849
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.3332 0.3307
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3705 1
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0046 0.0302 0.0266
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0282 0.5639 0.7167
Trypanosoma brucei Adenine phosphoribosyltransferase, putative 0.0046 0.0302 0.0723
Leishmania major basic transcription factor 3a, putative 0.0038 0.0109 0.0198
Mycobacterium tuberculosis Conserved hypothetical protein 0.0046 0.0302 0.0339
Mycobacterium ulcerans penicillin-binding lipoprotein 0.038 0.7854 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3705 1
Schistosoma mansoni tyrosine kinase 0.0096 0.1426 0.3786
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0034 0.0037 0.01

Activities

Activity type Activity value Assay description Source Reference
Concentration (binding) = 50 uM Inhibition of human fibroblast growth factor receptor (FGF) at 50 uM (no effect) ChEMBL. 9089334
Concentration (binding) = 50 uM Inhibition of human Platelet-derived growth factor receptor at 50 uM (no effect) ChEMBL. 9089334
Concentration (binding) = 50 uM Inhibition of human insulin receptor tyrosine kinase at 50 uM (no effect) ChEMBL. 9089334
Concentration (binding) = 50 uM Inhibition of human fibroblast growth factor receptor (FGF) at 50 uM (no effect) ChEMBL. 9089334
Concentration (binding) = 50 uM Inhibition of human Platelet-derived growth factor receptor at 50 uM (no effect) ChEMBL. 9089334
Concentration (binding) = 50 uM Inhibition of human insulin receptor tyrosine kinase at 50 uM (no effect) ChEMBL. 9089334
IC50 (binding) = 45 uM Inhibition of human erbB-2 receptor tyrosine kinase ChEMBL. 9089334
IC50 (binding) = 45 uM Inhibition of human erbB-2 receptor tyrosine kinase ChEMBL. 9089334
Inhibition (binding) ~ 70 % Inhibition of human erbB-1 receptor tyrosine kinase activity at 5 uM ChEMBL. 9089334
Inhibition (binding) ~ 70 % Inhibition of human erbB-1 receptor tyrosine kinase activity at 5 uM ChEMBL. 9089334
Kd (binding) = 1 uM Rate constant for inactivation of erbB-1 receptor of A431 human epidermoidcarcinoma cells ChEMBL. 9089334
Kd (binding) = 1 uM Rate constant for inactivation of erbB-1 receptor of A431 human epidermoidcarcinoma cells ChEMBL. 9089334
kmax (binding) = 2.3 s-1 Rate constant for inactivation of erbB-1 receptor of A431 human epidermoidcarcinoma cells ChEMBL. 9089334
kmax (binding) = 2.3 s-1 Rate constant for inactivation of erbB-1 receptor of A431 human epidermoidcarcinoma cells ChEMBL. 9089334
kmax/KS (binding) = 2000 M-1 s-1 Second order rate constant for inactivation of erbB-1 receptor of A431 human epidermoidcarcinoma cells ChEMBL. 9089334
kmax/KS (binding) = 2000 M-1 s-1 Second order rate constant for inactivation of erbB-1 receptor of A431 human epidermoidcarcinoma cells ChEMBL. 9089334
KS (binding) ~ 1 uM Saturation rate constant for complex formation with human erbB-1 receptor ChEMBL. 9089334
KS (binding) ~ 1 uM Saturation rate constant for complex formation with human erbB-1 receptor ChEMBL. 9089334
T1/2 (binding) = 5 min Half life for inactivation of erbB-1 receptor ChEMBL. 9089334
T1/2 (binding) = 5 min Half life for inactivation of erbB-1 receptor ChEMBL. 9089334

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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