Detailed information for compound 1193559

Basic information

Technical information
  • TDR Targets ID: 1193559
  • Name: (2R,3S)-2,3-dibromo-1-(4-nitrophenyl)-3-quino lin-4-ylpropan-1-one
  • MW: 464.107 | Formula: C18H12Br2N2O3
  • H donors: 0 H acceptors: 4 LogP: 4.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Br[C@@H]([C@H](c1ccnc2c1cccc2)Br)C(=O)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C18H12Br2N2O3/c19-16(14-9-10-21-15-4-2-1-3-13(14)15)17(20)18(23)11-5-7-12(8-6-11)22(24)25/h1-10,16-17H/t16-,17-/m0/s1
  • InChiKey: OVEVOPGYRGCOMR-IRXDYDNUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,3S)-2,3-dibromo-1-(4-nitrophenyl)-3-(4-quinolyl)propan-1-one
  • (2R,3S)-2,3-dibromo-1-(4-nitrophenyl)-3-quinolin-4-yl-propan-1-one
  • NCIStruc2_001894
  • NCIStruc1_001631
  • NCGC00014402
  • NSC-150289
  • NCI150289

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0838 0.8643
Echinococcus multilocularis transfer RNA-Gly 0.0129 0.2771 0.4361
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 0.0779 0.0099
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.097 1
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Brugia malayi Protein kinase domain containing protein 0.0115 0.2312 0.2312
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0115 0.2312 0.3638
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0239 0.6355 1
Echinococcus multilocularis nervana 2 0.022 0.5732 0.9019
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0115 0.2312 0.3638
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0222 0.5812 0.9146
Echinococcus granulosus serine threonine protein kinase nrc 0.0222 0.5812 0.9146
Brugia malayi hypoxia-induced factor 1 0.0182 0.4495 0.4495
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0115 0.2312 0.3638
Loa Loa (eye worm) AGC/NDR protein kinase 0.0115 0.2312 0.1745
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus granulosus protein kinase C gamma type 0.0115 0.2312 0.3638
Echinococcus granulosus protein kinase c epsilon type 0.0115 0.2312 0.3638
Trypanosoma cruzi Protein kinase B 0.0239 0.6355 1
Entamoeba histolytica protein kinase, putative 0.0351 1 1
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Onchocerca volvulus 0.0043 0 0.5
Echinococcus multilocularis serine:threonine protein kinase 38 0.0115 0.2312 0.3638
Echinococcus multilocularis rac serine:threonine kinase 0.0239 0.6355 1
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.2312 0.31
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0115 0.2312 0.1745
Echinococcus multilocularis transfer RNA-Trp 0.0129 0.2771 0.4361
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.097 0.1526
Trichomonas vaginalis AGC family protein kinase 0.0351 1 1
Trichomonas vaginalis AGC family protein kinase 0.0131 0.2855 0.0802
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.2312 0.31
Trichomonas vaginalis AGC family protein kinase 0.0351 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.097 1
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Brugia malayi Cytochrome P450 family protein 0.0067 0.0779 0.0779
Brugia malayi Protein kinase domain containing protein 0.0115 0.2312 0.2312
Schistosoma mansoni hypothetical protein 0.0062 0.0607 0.0189
Echinococcus multilocularis non capsid protein NS 1 0.0062 0.0607 0.0955
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0115 0.2312 0.3638
Echinococcus multilocularis transfer RNA-Gly 0.0129 0.2771 0.4361
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.097 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0222 0.5812 0.9146
Entamoeba histolytica PH domain containing protein kinase, putative 0.0239 0.6355 0.5259
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.097 0.0809
Echinococcus multilocularis transfer RNA-Gly 0.0129 0.2771 0.4361
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0838 0.0838
Echinococcus multilocularis serine:threonine protein kinase N2 0.0115 0.2312 0.3638
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.2312 0.31
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Trichomonas vaginalis AGC family protein kinase 0.0115 0.2312 0.0103
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.2312 0.31
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0838 0.1319
Loa Loa (eye worm) AGC/AKT protein kinase 0.0351 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0838 0.0584
Echinococcus granulosus 5'partial|3'partial|non capsid protein NS 1 0.0062 0.0607 0.0955
Loa Loa (eye worm) AGC/PKN protein kinase 0.0115 0.2312 0.1745
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Trichomonas vaginalis AGC family protein kinase 0.0351 1 1
Echinococcus granulosus NDR protein kinase 0.0115 0.2312 0.3638
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Schistosoma mansoni serine/threonine-protein kinase 0.0239 0.6355 1
Trichomonas vaginalis AGC family protein kinase 0.0351 1 1
Brugia malayi protein kinase C II. 0.0115 0.2312 0.2312
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.097 0.1526
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0335 0.9457 0.9417
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0115 0.2312 0.1745
Echinococcus granulosus Glutaredoxin protein 5 0.022 0.5732 0.9019
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus granulosus serine:threonine protein kinase N2 0.0115 0.2312 0.3638
Entamoeba histolytica protein kinase, putative 0.0335 0.9457 0.9294
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0115 0.2312 0.3638
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.022 0.5732 0.9019
Echinococcus granulosus Protein kinase C brain isozyme 0.0115 0.2312 0.3638
Echinococcus multilocularis nervana 2 0.022 0.5732 0.9019
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0115 0.2312 0.1745
Loa Loa (eye worm) hypothetical protein 0.0115 0.2312 0.1745
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0115 0.2312 0.3638
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0222 0.5812 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.2312 0.31
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.097 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0335 0.9457 0.9457
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.097 1
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Trichomonas vaginalis AGC family protein kinase 0.0351 1 1
Trichomonas vaginalis AGC family protein kinase 0.0115 0.2312 0.0103
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis serine threonine protein kinase 0.0115 0.2312 0.3638
Echinococcus multilocularis protein kinase c iota type 0.0115 0.2312 0.3638
Echinococcus multilocularis non capsid protein NS 1 0.0062 0.0607 0.0955
Trichomonas vaginalis AGC family protein kinase 0.0351 1 1
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus granulosus nervana 2 0.022 0.5732 0.9019
Brugia malayi Hr1 repeat family protein 0.0115 0.2312 0.2312
Schistosoma mansoni serine/threonine-protein kinase 0.0239 0.6355 1
Entamoeba histolytica protein kinase 2, putative 0.0222 0.5812 0.4553
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0115 0.2312 0.1745
Schistosoma mansoni serine/threonine kinase 0.0115 0.2312 0.31
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.4495 0.4089
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0838 0.1319
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Toxoplasma gondii AGC kinase 0.0335 0.9457 1
Echinococcus multilocularis non capsid protein NS 1 0.0062 0.0607 0.0955
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.2312 0.31
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0838 0.8643
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0115 0.2312 0.3638
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus multilocularis serine:threonine protein kinase N2 0.0115 0.2312 0.3638
Giardia lamblia Kinase, AGC PKA 0.0222 0.5812 0.5
Echinococcus granulosus serine/threonine protein kinase 0.0239 0.6355 1
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Echinococcus granulosus nervana 2 0.022 0.5732 0.9019
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Trichomonas vaginalis AGC family protein kinase 0.0351 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0351 1 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0239 0.6355 0.5259
Trichomonas vaginalis AGC family protein kinase 0.0115 0.2312 0.0103
Echinococcus multilocularis non capsid protein NS 1 0.0129 0.2771 0.4361
Schistosoma mansoni atypical protein kinase C 0.0115 0.2312 0.31
Brugia malayi hypothetical protein 0.0197 0.4991 0.4991
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.097 0.0809
Entamoeba histolytica protein kinase, putative 0.0351 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.022 0.5732 0.9019
Echinococcus multilocularis non capsid protein NS 1 0.0062 0.0607 0.0955
Echinococcus multilocularis protein kinase c epsilon type 0.0115 0.2312 0.3638
Echinococcus multilocularis Glutaredoxin protein 5 0.022 0.5732 0.9019
Schistosoma mansoni serine/threonine protein kinase 0.0115 0.2312 0.31
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0222 0.5812 0.5
Brugia malayi PAS domain containing protein 0.0059 0.0496 0.0496
Echinococcus granulosus protein kinase c iota type 0.0115 0.2312 0.3638
Loa Loa (eye worm) hypothetical protein 0.0197 0.4991 0.4622

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 1.258925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.258925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.981071706 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (ADMET) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference

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

No literature references available for this target.

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