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

Hover on a compound node to display the structore

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

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.
 
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.