Detailed information for compound 252414

Basic information

Technical information
  • TDR Targets ID: 252414
  • Name: 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)prop oxy]phenyl]-3-phenylpropan-1-one
  • MW: 357.443 | Formula: C21H27NO4
  • H donors: 3 H acceptors: 3 LogP: 2.96 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNCC(COc1ccc(cc1C(=O)CCc1ccccc1)O)O
  • InChi: 1S/C21H27NO4/c1-2-12-22-14-18(24)15-26-21-11-9-17(23)13-19(21)20(25)10-8-16-6-4-3-5-7-16/h3-7,9,11,13,18,22-24H,2,8,10,12,14-15H2,1H3
  • InChiKey: LUTWDNUXHDYZRA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one
  • 1-[5-hydroxy-2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanone
  • 5-hydroxypropafenone
  • 1-[5-hydroxy-2-(2-hydroxy-3-propylaminopropoxy)phenyl]-3-phenylpropan-1-one
  • 1-[5-hydroxy-2-(2-hydroxy-3-propylamino-propoxy)phenyl]-3-phenyl-propan-1-one
  • 86384-10-3
  • 1-(5-Hydroxy-2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone
  • 1-Propanone, 1-(5-hydroxy-2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter family protein Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium yoelii multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glyco protein 6, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium hominis ATP-binding cassette protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-5 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium berghei multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium vivax multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus 5'partial|ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Bile salt export pump, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium knowlesi multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, putative Get druggable targets OG5_126596 All targets in OG5_126596
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
Echinococcus multilocularis adenylate cyclase 9 0.0082 0.0419 0.0516
Mycobacterium ulcerans hypothetical protein 0.0111 0.0671 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0045 0.0098 0.0098
Loa Loa (eye worm) trypsin family protein 0.0111 0.0671 0.0671
Entamoeba histolytica protein kinase, putative 0.0045 0.0098 0.5
Schistosoma mansoni hypothetical protein 0.0111 0.0671 0.1204
Entamoeba histolytica protein kinase, putative 0.0045 0.0098 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0098 0.0175
Schistosoma mansoni serine/threonine protein kinase 0.0309 0.2384 0.4274
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0111 0.0671 0.0921
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.5578 1
Brugia malayi protein kinase C II. 0.0045 0.0098 0.0227
Toxoplasma gondii RNA-directed DNA polymerase 0.0199 0.1433 1
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0098 0.0175
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Trypanosoma brucei telomerase reverse transcriptase 0.0199 0.1433 1
Brugia malayi Adenylyl cyclase protein 0.0506 0.4089 0.9515
Brugia malayi Protein kinase domain containing protein 0.0045 0.0098 0.0227
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0309 0.2384 0.3668
Echinococcus multilocularis adenylate cyclase 9 0.0082 0.0419 0.0516
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0098 0.0175
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0309 0.2384 0.2384
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.1204
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0111 0.0671 0.0671
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Loa Loa (eye worm) hypothetical protein 0.0082 0.0419 0.0419
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.1204
Echinococcus multilocularis glycoprotein Antigen 5 0.0111 0.0671 0.0921
Schistosoma mansoni adenylate cyclase 0.0082 0.0419 0.0751
Loa Loa (eye worm) hypothetical protein 0.0111 0.0671 0.0671
Loa Loa (eye worm) hypothetical protein 0.0049 0.0135 0.0135
Schistosoma mansoni hypothetical protein 0.0111 0.0671 0.1204
Plasmodium vivax telomerase reverse transcriptase, putative 0.0199 0.1433 0.5
Echinococcus multilocularis adenylate cyclase type IX 0.0765 0.633 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0045 0.0098 0.0098
Loa Loa (eye worm) hypothetical protein 0.0111 0.0671 0.0671
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.1204
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0098 0.0175
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.073 0.6022 0.6124
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.1204
Echinococcus granulosus glycoprotein Antigen 5 0.0111 0.0671 0.0921
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0135 0.0314
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0111 0.0671 0.1562
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Brugia malayi Protein kinase domain containing protein 0.0045 0.0098 0.0227
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0045 0.0098 0.0098
Brugia malayi Telomerase reverse transcriptase 0.053 0.4298 1
Echinococcus multilocularis adenylate cyclase 9 0.0506 0.4089 0.6404
Brugia malayi p70 ribosomal S6 kinase beta 0.0045 0.0098 0.0227
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.1204
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Onchocerca volvulus 0.048 0.3862 0.3651
Plasmodium falciparum telomerase reverse transcriptase 0.0199 0.1433 0.5
Loa Loa (eye worm) hypothetical protein 0.1095 0.9182 0.9182
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.5578 0.8793
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Echinococcus granulosus adenylate cyclase type IX 0.0765 0.633 1
Brugia malayi Trypsin family protein 0.0111 0.0671 0.1562
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Loa Loa (eye worm) hypothetical protein 0.0082 0.0419 0.0419
Brugia malayi Hr1 repeat family protein 0.0045 0.0098 0.0227
Loa Loa (eye worm) hypothetical protein 0.0506 0.4089 0.4089
Loa Loa (eye worm) hypothetical protein 0.0045 0.0098 0.0098
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0045 0.0098 0.0098
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0135 0.0314
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Brugia malayi Trypsin-like protease protein 5 0.0111 0.0671 0.1562
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0111 0.0671 0.1204
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.1204
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Entamoeba histolytica protein kinase, putative 0.0045 0.0098 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0199 0.1433 0.5
Echinococcus granulosus adenylate cyclase 9 0.0506 0.4089 0.6404
Schistosoma mansoni atypical protein kinase C 0.0045 0.0098 0.0175
Schistosoma mansoni serine/threonine kinase 0.0045 0.0098 0.0175
Entamoeba histolytica protein kinase, putative 0.0045 0.0098 0.5
Echinococcus granulosus enteropeptidase 0.0111 0.0671 0.0921
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.1204
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0098 0.0175
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Brugia malayi hypothetical protein 0.0111 0.0671 0.1562
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Echinococcus granulosus transmembrane protease serine 3 0.0111 0.0671 0.0921
Schistosoma mansoni adenylate cyclase 0.0082 0.0419 0.0751
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0111 0.0671 0.0921
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0671 0.0671
Onchocerca volvulus Adenylate cyclase type 3 homolog 0.1121 0.9409 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0045 0.0098 0.0098
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Echinococcus granulosus adenylate cyclase 9 0.0082 0.0419 0.0516
Echinococcus multilocularis Mastin 0.0111 0.0671 0.0921
Echinococcus granulosus Mastin 0.0111 0.0671 0.0921
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0199 0.1433 0.5
Brugia malayi Trypsin family protein 0.0111 0.0671 0.1562
Loa Loa (eye worm) hypothetical protein 0.0111 0.0671 0.0671
Giardia lamblia Kinase, AGC AKT 0.0265 0.2003 1
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0265 0.2003 1
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0111 0.0671 0.1204
Brugia malayi Protein kinase domain containing protein 0.0045 0.0098 0.0227
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.0506 0.4089 0.3911
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0265 0.2003 0.466
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0111 0.0671 0.0921
Echinococcus multilocularis transmembrane protease serine 3 0.0111 0.0671 0.0921
Loa Loa (eye worm) AGC/PKN protein kinase 0.0045 0.0098 0.0098
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0309 0.2384 0.3668
Loa Loa (eye worm) hypothetical protein 0.0111 0.0671 0.0671
Loa Loa (eye worm) AGC/NDR protein kinase 0.0045 0.0098 0.0098
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0111 0.0671 0.0921
Onchocerca volvulus 0.0506 0.4089 0.3911
Brugia malayi Trypsin family protein 0.0111 0.0671 0.1562
Brugia malayi Trypsin family protein 0.0111 0.0671 0.1562
Schistosoma mansoni serine/threonine protein kinase 0.0045 0.0098 0.0175
Loa Loa (eye worm) hypothetical protein 0.0111 0.0671 0.0671
Echinococcus multilocularis enteropeptidase 0.0111 0.0671 0.0921
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Trichomonas vaginalis AGC family protein kinase 0.0045 0.0098 1
Echinococcus granulosus microtubule associated protein 2 0.0678 0.5578 0.8793
Brugia malayi adenylate cyclase, type IX 0.0082 0.0419 0.0975

Activities

Activity type Activity value Assay description Source Reference
clogP = 3 Calculated partition coefficient (clogP) (Molgen) ChEMBL. 14584949
clogP = 3.45 Calculated partition coefficient (clogP) (HINT) ChEMBL. 14584949
EC50 (binding) = 3.021 uM Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460
EC50 (binding) = 3.021 uM Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay ChEMBL. 17352460
IC50 (functional) = 3.02 uM In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line ChEMBL. 14584949
IC50 (functional) = 3.02 uM In vitro multi drug resistance (MDR) reversal inhibitory activity against CCRF-CEM/VCR-1000 cell line ChEMBL. 14584949
IC50 (binding) = 40 uM Inhibitory concentration against IKr potassium channel ChEMBL. 15324906
IC50 (binding) = 40 uM Inhibitory concentration against IKr potassium channel ChEMBL. 15324906

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 14584949

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

3 literature references were collected for this gene.

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