Detailed information for compound 1635427

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.007 | Formula: C26H24ClN3S
  • H donors: 1 H acceptors: 1 LogP: 5.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)CCc1c(C2=C2CCN(CC2)C(=S)Nc2ccccc2)nccc1
  • InChi: 1S/C26H24ClN3S/c27-21-10-11-23-20(17-21)9-8-19-5-4-14-28-25(19)24(23)18-12-15-30(16-13-18)26(31)29-22-6-2-1-3-7-22/h1-7,10-11,14,17H,8-9,12-13,15-16H2,(H,29,31)
  • InChiKey: HISBFROINRVEMM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni voltage-gated potassium channel 0.0122 0.0228 0.0228
Loa Loa (eye worm) hypothetical protein 0.0313 0.0723 0.0723
Loa Loa (eye worm) hypothetical protein 0.0793 0.1965 0.1965
Loa Loa (eye worm) phosphatidylinositol 3 0.0412 0.0979 0.0979
Schistosoma mansoni immunophilin 0.0106 0.0187 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0485 0.1167 0.1167
Echinococcus granulosus serine threonine protein kinase nrc 0.0067 0.0084 0.0084
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0188 0.0188
Trichomonas vaginalis PIKK family atypical protein kinase 0.1047 0.2623 0.2623
Trichomonas vaginalis PIKK family atypical protein kinase 0.2304 0.5883 0.5883
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0263 0.0594 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0739 0.1825 0.1825
Echinococcus granulosus nervana 2 0.0066 0.0082 0.0082
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0327 0.0759 0.0759
Loa Loa (eye worm) phosphatidylinositol 3 0.0254 0.0569 0.0569
Echinococcus multilocularis 0.0254 0.0569 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.3324 0.8526 0.8526
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0254 0.0569 0.0569
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0263 0.0594 0.0594
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0106 0.0187 0.0187
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0254 0.0569 0.0569
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0263 0.0594 0.0594
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.3893 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0263 0.0594 0.0594
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1307 0.3299 0.3299
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0254 0.0569 0.0489
Loa Loa (eye worm) hypothetical protein 0.0569 0.1385 0.1385
Trichomonas vaginalis PIKK family atypical protein kinase 0.3097 0.7937 0.7937
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0594 0.0514
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0432 0.1029 0.1029
Toxoplasma gondii target of rapamycin (TOR), putative 0.2896 0.7417 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2103 0.5362 0.5362
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.1825 0.1825
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.3893 1 1
Entamoeba histolytica hypothetical protein 0.0254 0.0569 0.0569
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0106 0.0187 0.0187
Trichomonas vaginalis PIKK family atypical protein kinase 0.2896 0.7417 0.7417
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0739 0.1825 0.1825
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0347 0.081 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.2103 0.5362 0.5362
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0347 0.081 0.0733
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0106 0.0187 0.0104
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0283 0.0645 0.0645
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0106 0.0187 0.0187
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0254 0.0569 0.0549
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0092 0.0149 0.0149
Leishmania major hypothetical protein, unknown function 0.0254 0.0569 0.0389
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0347 0.081 0.0733
Schistosoma mansoni hypothetical protein 0.0569 0.1385 0.1385
Trichomonas vaginalis PIKK family atypical protein kinase 0.2327 0.5942 0.5942
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0485 0.1167 0.1093
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0254 0.0569 0.0569
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0254 0.0569 0.0389
Trichomonas vaginalis PIKK family atypical protein kinase 0.21 0.5354 0.5354
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0106 0.0187 0.0104
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0317 0.0732 0.0732
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0432 0.1029 0.1029
Leishmania major phosphatidylinositol 3-kinase, putative 0.0263 0.0594 0.0415
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0188 0.0188
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0254 0.0569 0.0489
Trichomonas vaginalis PIKK family atypical protein kinase 0.2304 0.5883 0.5883
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0739 0.1825 0.1756
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0106 0.0187 0.0104
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.3299 0.3299
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0106 0.0187 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.3299 0.3299
Schistosoma mansoni serine/threonine-protein kinase 0.0073 0.0101 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0823 0.2043 0.2043
Echinococcus multilocularis rac serine:threonine kinase 0.0073 0.0101 0.0101
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0106 0.0187 0.2024
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0106 0.0187 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.0569 0.0569
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0283 0.0645 0.0645
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0112 0.0202 0.0202
Brugia malayi FAT domain containing protein 0.0569 0.1385 0.1385
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0254 0.0569 0.0569
Echinococcus multilocularis Glutaredoxin protein 5 0.0066 0.0082 0.0082
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0254 0.0569 0.0569
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1307 0.3299 0.3172
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0739 0.1825 0.1756
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.3893 1 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0739 0.1825 0.1825
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0106 0.0187 0.0104
Echinococcus multilocularis Zinc finger, PHD finger 0.0263 0.0594 0.0594
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0254 0.0569 0.0569
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.3893 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1307 0.3299 0.3243
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0594 0.0415
Echinococcus multilocularis serine protein kinase ATM 0.0739 0.1825 0.1825
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0254 0.0569 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.2327 0.5942 0.5942
Trichomonas vaginalis PIKK family atypical protein kinase 0.21 0.5354 0.5354
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.31 0.7945 0.7906
Entamoeba histolytica protein kinase, putative 0.0107 0.0188 0.0188
Trichomonas vaginalis fk506-binding protein, putative 0.0106 0.0187 0.0187
Entamoeba histolytica protein kinase rad3, putative 0.0739 0.1825 0.1825
Trichomonas vaginalis PIKK family atypical protein kinase 0.0485 0.1167 0.1167
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0254 0.0569 0.0489
Trichomonas vaginalis PIKK family atypical protein kinase 0.3893 1 1
Trichomonas vaginalis AGC family protein kinase 0.0041 0.0017 0.0017
Entamoeba histolytica protein kinase, putative 0.01 0.0171 0.0171
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0254 0.0569 0.0569
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0297 0.0681 0.0603
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0283 0.0645 0.0466
Loa Loa (eye worm) phosphatidylinositol kinase 0.0254 0.0569 0.0569
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.3893 1 1
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0188 0.0188
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0739 0.1825 0.1825
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0093 0.0152 0.0152
Schistosoma mansoni immunophilin 0.0092 0.0149 0.0149
Trypanosoma brucei target of rapamycin kinase 3, putative 0.31 0.7945 0.7906
Entamoeba histolytica protein kinase, putative 0.0107 0.0188 0.0188
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0254 0.0569 0.0489
Entamoeba histolytica hypothetical protein 0.0254 0.0569 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.2896 0.7417 0.7417
Loa Loa (eye worm) AGC/AKT protein kinase 0.0107 0.0188 0.0188
Echinococcus multilocularis nervana 2 0.0066 0.0082 0.0082
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0263 0.0594 0.0594
Brugia malayi Protein kinase domain containing protein 0.0107 0.0188 0.0188
Schistosoma mansoni voltage-gated potassium channel 0.0122 0.0228 0.0228
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0347 0.081 0.081
Giardia lamblia Phosphatidylinositol 4-kinase 0.0254 0.0569 0.0489
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0066 0.0082 0.0082
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0432 0.1029 0.1029
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.3893 1 1
Loa Loa (eye worm) hypothetical protein 0.0254 0.0569 0.0569
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0066 0.0082 0.0082
Entamoeba histolytica hypothetical protein 0.0254 0.0569 0.0569
Loa Loa (eye worm) hypothetical protein 0.0739 0.1825 0.1825
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0254 0.0569 0.9509
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1307 0.3299 0.3172
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0254 0.0569 0.0549
Giardia lamblia GTOR 0.3893 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0066 0.0082 0.0082
Entamoeba histolytica PH domain containing protein kinase, putative 0.0073 0.0101 0.0101
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0594 0.0514
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0263 0.0594 0.0415
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0263 0.0594 0.0584
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1307 0.3299 0.3243
Brugia malayi p70 ribosomal S6 kinase beta 0.01 0.0171 0.0171
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1618 0.4106 0.3993
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0254 0.0569 0.0569
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0106 0.0187 0.0104
Onchocerca volvulus 0.0254 0.0569 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3893 1 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0106 0.0187 0.0187
Loa Loa (eye worm) phosphatidylinositol 3 0.1307 0.3299 0.3299
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0263 0.0594 0.0594
Loa Loa (eye worm) hypothetical protein 0.0485 0.1167 0.1167
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1307 0.3299 0.3299
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0073 0.0101 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.2528 0.6463 0.6463
Loa Loa (eye worm) phosphatidylinositol 3 0.0254 0.0569 0.0569
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0106 0.0187 0.0187
Onchocerca volvulus 0.0254 0.0569 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0112 0.0202 0.0202
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0263 0.0594 0.0594
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0254 0.0569 0.9509
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.3893 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0105 0.0182 0.0182
Entamoeba histolytica PH domain containing protein kinase, putative 0.0073 0.0101 0.0101
Loa Loa (eye worm) phosphatidylinositol 3 0.3893 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0283 0.0645 0.0645
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1307 0.3299 0.3299
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0106 0.0187 0.0187
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0106 0.0187 0.0187
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0313 0.0723 0.0723
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0105 0.0182 0.0182
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1842 0.4686 0.4585
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0263 0.0594 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.3097 0.7937 0.7937
Trypanosoma cruzi Protein kinase B 0.0073 0.0101 0.0017
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0273 0.062 0.054
Trichomonas vaginalis PIKK family atypical protein kinase 0.2103 0.5362 0.5362
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.3299 0.3299
Schistosoma mansoni serine/threonine-protein kinase 0.0073 0.0101 0.0101
Echinococcus granulosus nervana 2 0.0066 0.0082 0.0082
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0254 0.0569 0.0389
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0739 0.1825 0.1669
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0283 0.0645 0.0645
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.3893 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0254 0.0569 0.0569
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0263 0.0594 0.0594
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0254 0.0569 0.0569
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0739 0.1825 0.1825
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.0569 0.0569
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0263 0.0594 0.0594
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0317 0.0732 0.0732
Trypanosoma brucei rac serine-threonine kinase, putative 0.0107 0.0188 0.0001
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0085 0.013 0.013
Giardia lamblia Hypothetical protein 0.0254 0.0569 0.0489
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0739 0.1825 0.1825
Schistosoma mansoni hypothetical protein 0.0254 0.0569 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.3097 0.7937 0.7937
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.1825 0.1825
Leishmania major hypothetical protein, conserved 0.0254 0.0569 0.0389
Trypanosoma cruzi target of rapamycin kinase 3 0.31 0.7945 0.7928
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0263 0.0594 0.0584
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0092 0.0149 0.0149
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0067 0.0084 0.0084
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0254 0.0569 0.9509
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0112 0.0202 0.0202
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0283 0.0645 0.0645
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0283 0.0645 0.0566
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.3893 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0112 0.0202 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.3299 0.3299
Trichomonas vaginalis PIKK family atypical protein kinase 0.2327 0.5942 0.5942
Echinococcus granulosus serine/threonine protein kinase 0.0073 0.0101 0.0101
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0254 0.0569 0.0569
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.3893 1 1
Loa Loa (eye worm) FKBP5 protein 0.0106 0.0187 0.0187
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0313 0.0723 0.0723
Leishmania major phosphatidylinositol 3-kinase, putative 0.1307 0.3299 0.3172
Entamoeba histolytica protein kinase 2, putative 0.0067 0.0084 0.0084
Trichomonas vaginalis PIKK family atypical protein kinase 0.1307 0.3299 0.3299
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0106 0.0187 0.0187
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0283 0.0645 0.0645
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0263 0.0594 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.01 0.0171 0.0171
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1307 0.3299 0.3172
Trichomonas vaginalis PIKK family atypical protein kinase 0.3097 0.7937 0.7937
Mycobacterium leprae conserved hypothetical protein 0.0254 0.0569 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2896 0.7417 0.7417
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0254 0.0569 0.0569
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0254 0.0569 0.0489
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0263 0.0594 0.0594
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0263 0.0594 0.0594
Leishmania major phosphatidylinositol kinase, putative 0.0254 0.0569 0.0389
Trichomonas vaginalis PIKK family atypical protein kinase 0.2896 0.7417 0.7417
Trichomonas vaginalis PIKK family atypical protein kinase 0.2896 0.7417 0.7417
Plasmodium vivax hypothetical protein 0.0254 0.0569 0.9509
Loa Loa (eye worm) hypothetical protein 0.0092 0.0149 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.3893 1 1
Loa Loa (eye worm) hypothetical protein 0.0823 0.2043 0.2043
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0106 0.0187 0.0187
Entamoeba histolytica hypothetical protein 0.0327 0.0759 0.0759
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0106 0.0187 0.0187
Leishmania major phosphatidylinositol 4-kinase, putative 0.0254 0.0569 0.0389
Loa Loa (eye worm) hypothetical protein 0.0097 0.0163 0.0163
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0254 0.0569 0.9509
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0347 0.081 0.081
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0106 0.0187 0.0104
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.3893 1 1
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0188 0.0188
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0254 0.0569 0.0549
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0254 0.0569 0.0569
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0347 0.081 0.081
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0739 0.1825 0.1825
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0823 0.2043 0.2584
Echinococcus multilocularis nervana 2 0.0066 0.0082 0.0082
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0569 0.1385 0.1385
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0254 0.0569 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.2896 0.7417 0.7417
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0254 0.0569 0.9509
Trichomonas vaginalis PIKK family atypical protein kinase 0.2612 0.6681 0.6681
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0188 0.0188
Trichomonas vaginalis conserved hypothetical protein 0.0569 0.1385 0.1385
Plasmodium vivax hypothetical protein, conserved 0.0254 0.0569 0.9509
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0347 0.081 0.081
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0263 0.0594 0.0594
Trichomonas vaginalis PIKK family atypical protein kinase 0.2896 0.7417 0.7417
Toxoplasma gondii FATC domain-containing protein 0.0739 0.1825 0.2283
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0188 0.0188
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0294 0.0672 0.0672
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0106 0.0187 0.0187
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0283 0.0645 0.0645
Echinococcus granulosus serine protein kinase ATM 0.0739 0.1825 0.1825
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0254 0.0569 0.0569
Trichomonas vaginalis PIKK family atypical protein kinase 0.3097 0.7937 0.7937
Trichomonas vaginalis PIKK family atypical protein kinase 0.2103 0.5362 0.5362
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0254 0.0569 0.0569
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0188 0.0188
Trichomonas vaginalis PIKK family atypical protein kinase 0.21 0.5354 0.5354
Leishmania major phosphatidylinositol kinase related protein, putative 0.0254 0.0569 0.0389
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1307 0.3299 0.3299
Entamoeba histolytica hypothetical protein 0.0739 0.1825 0.1825
Schistosoma mansoni immunophilin 0.0106 0.0187 0.0187
Mycobacterium tuberculosis Conserved hypothetical protein 0.0254 0.0569 0.5
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0569 0.1385 0.1385
Trichomonas vaginalis PIKK family atypical protein kinase 0.0739 0.1825 0.1825
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0106 0.0187 0.2024
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0313 0.0723 0.0723
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0067 0.0084 0.0084
Echinococcus multilocularis fk506 binding protein 0.0106 0.0187 0.0187
Trichomonas vaginalis immunophilin, putative 0.0106 0.0187 0.0187
Loa Loa (eye worm) phosphatidylinositol 3 0.0254 0.0569 0.0569

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5.6 uM Antiproliferative activity against human MCF7 cells assessed as growth inhibition after 144 hrs by crystal violet staining method ChEMBL. 22450132
Inhibition (functional) = 21.74 % Antiinflammatory activity in overnight fasted Kunming mouse assessed as inhibition of xylene-induced ear swelling at 4 mg/kg, ip administered before challenge for 5 days measured 1 hr post xylene challenge ChEMBL. 22450132

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22450132

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.