Detailed information for compound 977912

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 467.585 | Formula: C27H25N5OS
  • H donors: 2 H acceptors: 2 LogP: 5.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cnc2c(c1Nc1ccc3c(c1C)cc[nH]3)cc(s2)c1cc(OC)ccc1CN(C)C
  • InChi: 1S/C27H25N5OS/c1-16-20-9-10-29-24(20)8-7-23(16)31-26-18(13-28)14-30-27-22(26)12-25(34-27)21-11-19(33-4)6-5-17(21)15-32(2)3/h5-12,14,29H,15H2,1-4H3,(H,30,31)
  • InChiKey: ZZARJEJPLRJJQO-UHFFFAOYSA-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 HCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References
Homo sapiens protein kinase C, delta Starlite/ChEMBL References
Homo sapiens FYN proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References
Homo sapiens SRC proto-oncogene, non-receptor tyrosine kinase Starlite/ChEMBL References
Homo sapiens protein kinase C, theta Starlite/ChEMBL References
Homo sapiens LYN proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase-activated protein kinase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi map kinase activated protein kinase protein 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Onchocerca volvulus Get druggable targets OG5_132502 All targets in OG5_132502
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131483 All targets in OG5_131483
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus MAP kinase activated protein kinase 2 Get druggable targets OG5_131483 All targets in OG5_131483
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase-activated protein kinase 2 370 aa 303 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0038 0.0456 0.0443
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0437 0.0425
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Echinococcus multilocularis serine:threonine protein kinase N2 0.0026 0.0105 0.0158
Brugia malayi map kinase activated protein kinase protein 2 0.0218 0.5794 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0437 0.0425
Loa Loa (eye worm) hypothetical protein 0.0333 0.9217 0.9216
Onchocerca volvulus 0.0038 0.0437 0.0461
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0026 0.0105 0.0158
Entamoeba histolytica protein kinase, putative 0.0026 0.0105 0.0589
Schistosoma mansoni tyrosine kinase 0.0111 0.263 0.4539
Schistosoma mansoni growth factor receptor-bound protein 0.0036 0.0388 0.067
Echinococcus multilocularis tyrosine protein kinase HCK 0.0076 0.1564 0.2683
Brugia malayi Sex muscle abnormal protein 5 0.0036 0.0388 0.0648
Echinococcus multilocularis raf serine:threonine protein kinase 0.0023 0.0015 0.0003
Brugia malayi SRC-1 0.0111 0.263 0.4527
Loa Loa (eye worm) hypothetical protein 0.0333 0.9217 0.9216
Loa Loa (eye worm) TK protein kinase 0.0076 0.1564 0.1553
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0036 0.0404 0.0391
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0437 0.0733
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0437 1
Schistosoma mansoni tyrosine kinase 0.0023 0.0013 0.0023
Trypanosoma brucei trypanothione reductase 0.0042 0.058 1
Brugia malayi glutathione reductase 0.0042 0.058 0.0981
Mycobacterium tuberculosis Probable reductase 0.0097 0.2192 0.292
Echinococcus granulosus geminin 0.019 0.4958 0.8554
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.2192 0.292
Brugia malayi Protein kinase domain containing protein 0.0026 0.0105 0.0158
Echinococcus granulosus raf serine:threonine protein kinase 0.0023 0.0015 0.0003
Schistosoma mansoni tyrosine kinase 0.0023 0.0013 0.0023
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0218 0.5794 1
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0218 0.5794 1
Brugia malayi Variant SH3 domain containing protein 0.0036 0.0388 0.0648
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.058 0.0238
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0094 0.2104 0.3616
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0218 0.5794 0.5789
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0036 0.0404 0.0675
Brugia malayi beta-lactamase family protein 0.0038 0.0437 0.0733
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.1203 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0026 0.0105 0.0158
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.0375
Brugia malayi Hr1 repeat family protein 0.0026 0.0105 0.0158
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0036 0.0388 0.0375
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Echinococcus multilocularis tyrosine protein kinase Abl 0.0041 0.054 0.091
Echinococcus multilocularis tyrosine protein kinase Srms 0.0094 0.2104 0.3616
Schistosoma mansoni tyrosine kinase 0.0041 0.054 0.0932
Echinococcus granulosus tyrosine protein kinase Src42A 0.0089 0.1952 0.3354
Onchocerca volvulus 0.0038 0.0437 0.0461
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0045 0.0647 0.0634
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.058 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0437 1
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0647 0.1116
Echinococcus granulosus serine:threonine protein kinase N2 0.0026 0.0105 0.0158
Echinococcus granulosus tyrosine protein kinase Blk 0.0094 0.2104 0.3616
Schistosoma mansoni serine/threonine protein kinase 0.0218 0.5794 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0036 0.0388 0.067
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0105 0.0181
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.1203 0.1274
Trichomonas vaginalis esterase, putative 0.0038 0.0437 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.2192 0.292
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.098 0.0968
Echinococcus granulosus tyrosine protein kinase Src64B 0.0111 0.263 0.4527
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0111 0.263 0.4527
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0041 0.054 0.0932
Echinococcus multilocularis protein kinase c epsilon type 0.0045 0.0647 0.1095
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.2192 0.292
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0026 0.0105 0.0158
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Brugia malayi Thioredoxin reductase 0.0042 0.058 0.0981
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0036 0.0404 0.0696
Entamoeba histolytica protein kinase, putative 0.0026 0.0105 0.0589
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0105 0.0181
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.2192 0.292
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0026 0.0105 0.0092
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.058 1
Entamoeba histolytica protein kinase, putative 0.0026 0.0105 0.0589
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0437 0.0733
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.6447 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0111 0.263 0.4527
Schistosoma mansoni growth factor receptor-bound protein 0.0036 0.0388 0.067
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0026 0.0105 0.0158
Leishmania major trypanothione reductase 0.0042 0.058 0.1867
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Echinococcus granulosus tyrosine protein kinase HCK 0.0076 0.1564 0.2683
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0026 0.0105 0.0158
Entamoeba histolytica protein kinase, putative 0.0076 0.1564 1
Echinococcus granulosus protein kinase c iota type 0.0045 0.0647 0.1095
Onchocerca volvulus 0.0038 0.0437 0.0461
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0437 0.0755
Brugia malayi Variant SH3 domain containing protein 0.0036 0.0388 0.0648
Echinococcus multilocularis serine:threonine protein kinase N2 0.0026 0.0105 0.0158
Brugia malayi protein kinase C II. 0.0045 0.0647 0.1095
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0111 0.263 0.4527
Echinococcus granulosus c src tyrosine kinase 0.0041 0.054 0.091
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.058 0.0568
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0111 0.263 0.4527
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0437 0.0755
Loa Loa (eye worm) AGC/AKT protein kinase 0.0026 0.0105 0.0092
Echinococcus multilocularis serine:threonine protein kinase 38 0.0026 0.0105 0.0158
Brugia malayi Protein kinase domain containing protein 0.0026 0.0105 0.0158
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0111 0.263 0.4527
Loa Loa (eye worm) hypothetical protein 0.0056 0.098 0.0968
Echinococcus granulosus NCK adaptor protein 0.0036 0.0388 0.0648
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0105 0.0181
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.1203 0.2058
Mycobacterium tuberculosis Probable oxidoreductase 0.0107 0.2512 0.3453
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0045 0.0647 0.1095
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0036 0.0404 0.0696
Plasmodium falciparum thioredoxin reductase 0.0042 0.058 0.5
Echinococcus multilocularis serine threonine protein kinase 0.0026 0.0105 0.0158
Echinococcus granulosus tyrosine protein kinase Src42A 0.0111 0.263 0.4527
Echinococcus granulosus tyrosine protein kinase Fyn 0.0111 0.263 0.4527
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0111 0.263 0.4527
Echinococcus granulosus protein kinase C gamma type 0.0026 0.0105 0.0158
Loa Loa (eye worm) beta-lactamase 0.0038 0.0437 0.0425
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0107 0.2512 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0026 0.0105 0.0092
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0094 0.2104 0.3616
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.2192 0.292
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1203 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0437 0.0425
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0437 0.0733
Brugia malayi Variant SH3 domain containing protein 0.0036 0.0404 0.0675
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Echinococcus multilocularis protein kinase c iota type 0.0045 0.0647 0.1095
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.0597 0.101
Echinococcus granulosus Protein kinase C brain isozyme 0.0045 0.0647 0.1095
Echinococcus granulosus N chimaerin 0.0036 0.0404 0.0675
Loa Loa (eye worm) TK protein kinase 0.0094 0.2104 0.2093
Schistosoma mansoni vav2 0.0036 0.0404 0.0696
Loa Loa (eye worm) hypothetical protein 0.0038 0.0437 0.0425
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0036 0.0388 0.0375
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0015 0.0027
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0097 0.2192 0.8457
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.098 0.1672
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0105 0.0181
Schistosoma mansoni nck2/grb4 0.0036 0.0388 0.067
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0089 0.1952 0.3354
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0437 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0113 0.2663 0.4584
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Brugia malayi Protein kinase domain containing protein 0.0026 0.0105 0.0158
Schistosoma mansoni hypothetical protein 0.019 0.4958 0.8557
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Plasmodium vivax glutathione reductase, putative 0.0042 0.058 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0026 0.0105 0.0092
Echinococcus granulosus tyrosine protein kinase Fyn 0.0111 0.263 0.4527
Echinococcus granulosus growth factor receptor bound protein 2 0.0036 0.0388 0.0648
Loa Loa (eye worm) hypothetical protein 0.0352 0.9759 0.9759
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0111 0.263 0.4527
Echinococcus granulosus tyrosine protein kinase Fyn 0.0111 0.263 0.4527
Schistosoma mansoni tyrosine kinase 0.0111 0.263 0.4539
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1203 0.2076
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0111 0.263 0.4527
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0041 0.054 0.091
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0437 0.6994
Echinococcus granulosus NDR protein kinase 0.0026 0.0105 0.0158
Brugia malayi beta-lactamase family protein 0.0038 0.0437 0.0733
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.098 0.1672
Schistosoma mansoni hypothetical protein 0.019 0.4958 0.8557
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.1203 0.2076
Loa Loa (eye worm) hypothetical protein 0.0038 0.0437 0.0425
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.1203 0.2058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0437 0.0425
Echinococcus multilocularis tyrosine protein kinase Blk 0.0094 0.2104 0.3616
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0647 0.1116
Schistosoma mansoni atypical protein kinase C 0.0045 0.0647 0.1116
Onchocerca volvulus 0.0333 0.9217 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0041 0.054 0.091
Echinococcus multilocularis geminin 0.019 0.4958 0.8554
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0107 0.2512 0.3453
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1203 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0437 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0026 0.0105 0.0158
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0111 0.263 0.4527
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0026 0.0105 0.0158
Loa Loa (eye worm) AGC/NDR protein kinase 0.0026 0.0105 0.0092
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0111 0.263 0.4527
Schistosoma mansoni tyrosine kinase 0.0041 0.054 0.0932
Loa Loa (eye worm) hypothetical protein 0.0333 0.9217 0.9216
Echinococcus granulosus protein kinase c epsilon type 0.0045 0.0647 0.1095
Plasmodium falciparum glutathione reductase 0.0042 0.058 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0041 0.054 0.091
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0456 0.0765
Loa Loa (eye worm) glutathione reductase 0.0042 0.058 0.0568
Toxoplasma gondii ABC1 family protein 0.0038 0.0437 0.3028
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.1203 1
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0036 0.0404 0.0675
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0647 0.1116
Loa Loa (eye worm) SRC-1 0.0111 0.263 0.262
Echinococcus granulosus tyrosine kinase 0.0094 0.2104 0.3616
Echinococcus multilocularis c src tyrosine kinase 0.0041 0.054 0.091
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0026 0.0105 0.0092
Brugia malayi RhoGAP domain containing protein 0.0036 0.0404 0.0675
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.1203 1
Schistosoma mansoni adapter molecule crk 0.0036 0.0388 0.067
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0111 0.263 0.4527
Loa Loa (eye worm) hypothetical protein 0.0038 0.0437 0.0425
Schistosoma mansoni serine/threonine kinase 0.0026 0.0105 0.0181
Trichomonas vaginalis AGC family protein kinase 0.0026 0.0105 0.0904
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0107 0.2512 0.3453
Schistosoma mansoni hypothetical protein 0.0038 0.0456 0.0786
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0437 1
Echinococcus multilocularis NCK adaptor protein 0.0036 0.0388 0.0648
Echinococcus multilocularis N chimaerin 0.0036 0.0404 0.0675
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.0597 0.101
Brugia malayi protein-tyrosine kinase 0.0094 0.2104 0.3616
Brugia malayi beta-lactamase 0.0038 0.0437 0.0733
Entamoeba histolytica protein kinase, putative 0.0026 0.0105 0.0589
Toxoplasma gondii thioredoxin reductase 0.0042 0.058 0.433
Echinococcus multilocularis growth factor receptor bound protein 2 0.0036 0.0388 0.0648
Loa Loa (eye worm) AGC/PKN protein kinase 0.0026 0.0105 0.0092

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 nM Inhibition of human full length PKCtheta ChEMBL. 19111463
IC50 (binding) = 130 nM Inhibition of human full length PKCdelta ChEMBL. 19111463
IC50 (binding) = 13000 nM Inhibition of Lyn ChEMBL. 19111463
IC50 (binding) > 5 uM Inhibition of Src ChEMBL. 19111463
IC50 (binding) > 5 uM Inhibition of Hck ChEMBL. 19111463
IC50 (binding) > 5 uM Inhibition of Fyn ChEMBL. 19111463
IC50 (binding) > 5 uM Inhibition of MK2 ChEMBL. 19111463
IC50 (binding) = 22 uM Inhibition of human full length PKCbeta ChEMBL. 19111463
IC50 (binding) = 38 uM Inhibition of Lck ChEMBL. 19111463
IC50 (binding) = 95 uM Inhibition of human full length PKCepsilon ChEMBL. 19111463
IC50 (binding) = 360 uM Inhibition of human full length PKCeta ChEMBL. 19111463

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.

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