Detailed information for compound 1522988

Basic information

Technical information
  • TDR Targets ID: 1522988
  • Name: 1-[4-[(4-chlorophenyl)methylsulfonylmethyl]-4 -hydroxypiperidin-1-yl]-2,2-dimethylpropan-1- one
  • MW: 387.921 | Formula: C18H26ClNO4S
  • H donors: 1 H acceptors: 4 LogP: 2.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)(C)C)N1CCC(CC1)(O)CS(=O)(=O)Cc1ccc(cc1)Cl
  • InChi: 1S/C18H26ClNO4S/c1-17(2,3)16(21)20-10-8-18(22,9-11-20)13-25(23,24)12-14-4-6-15(19)7-5-14/h4-7,22H,8-13H2,1-3H3
  • InChiKey: BQPWKZINBIRUHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-[(4-chlorophenyl)methylsulfonylmethyl]-4-hydroxy-1-piperidyl]-2,2-dimethyl-propan-1-one
  • 1-[4-[(4-chlorophenyl)methylsulfonylmethyl]-4-hydroxy-1-piperidinyl]-2,2-dimethylpropan-1-one
  • 1-[4-[(4-chlorobenzyl)sulfonylmethyl]-4-hydroxy-1-piperidyl]-2,2-dimethyl-propan-1-one
  • 1-[4-[(4-chlorophenyl)methylsulfonylmethyl]-4-hydroxy-piperidin-1-yl]-2,2-dimethyl-propan-1-one
  • MLS000547320
  • SMR000180418
  • 3X-0212
  • 1-(4-{[(4-chlorobenzyl)sulfonyl]methyl}-4-hydroxypiperidino)-2,2-dimethyl-1-propanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani cytochrome p450-like protein 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cytochrome P450 56 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
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein 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
Leishmania mexicana cytochrome p450-like protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.6544 0.6388
Onchocerca volvulus 0.0076 0.1292 0.5
Trypanosoma brucei beta tubulin 0.0254 1 1
Brugia malayi tubulin alpha-2 chain 0.0183 0.6544 0.6442
Echinococcus multilocularis Tubulin alpha 1 chain 0.0183 0.6544 0.6442
Echinococcus granulosus tubulin alpha 0.0134 0.4134 0.396
Trypanosoma brucei beta tubulin 0.0254 1 1
Entamoeba histolytica tubulin family protein 0.0254 1 1
Leishmania major epsilon tubulin, putative 0.0134 0.4134 0.3869
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Trichomonas vaginalis tubulin, putative 0.0076 0.1292 0.09
Echinococcus granulosus tubulin subunit beta 0.0254 1 1
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Echinococcus multilocularis tubulin alpha chain 0.0183 0.6544 0.6442
Echinococcus multilocularis Tubulin beta 2C chain 0.0254 1 1
Brugia malayi beta-tubulin, identical 0.0254 1 1
Mycobacterium ulcerans cell division protein FtsZ 0.0058 0.0431 0.5
Plasmodium vivax tubulin alpha chain, putative 0.0183 0.6544 0.6388
Echinococcus granulosus tubulin delta chain 0.0058 0.0431 0.0149
Trypanosoma brucei alpha tubulin 0.0183 0.6544 0.6388
Brugia malayi Tubulin alpha-2 chain 0.0183 0.6544 0.6442
Trichomonas vaginalis tubulin epsilon chain, putative 0.0183 0.6544 0.6388
Leishmania major beta tubulin 0.0254 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0254 1 1
Loa Loa (eye worm) alpha-tubulin 0.0183 0.6544 0.6544
Echinococcus granulosus tubulin gamma 1 chain 0.0134 0.4134 0.396
Echinococcus granulosus tubulin epsilon chain 0.0134 0.4134 0.396
Mycobacterium tuberculosis Cell division protein FtsZ 0.0058 0.0431 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0183 0.6544 0.6388
Leishmania major beta tubulin 0.0254 1 1
Leishmania major beta tubulin 0.0254 1 1
Echinococcus multilocularis tubulin alpha chain 0.0183 0.6544 0.6442
Trichomonas vaginalis tubulin alpha chain, putative 0.0134 0.4134 0.3869
Loa Loa (eye worm) hypothetical protein 0.0108 0.2841 0.2841
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Echinococcus multilocularis Tubulin alpha 1 chain 0.0183 0.6544 0.6442
Trichomonas vaginalis tubulin, putative 0.0254 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0183 0.6544 0.6442
Echinococcus granulosus tubulin subunit TubB 0.0183 0.6544 0.6442
Leishmania major beta tubulin 0.0254 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0134 0.4134 0.3869
Trypanosoma brucei epsilon tubulin 0.0134 0.4134 0.3869
Schistosoma mansoni tubulin subunit beta 0.0254 1 1
Schistosoma mansoni tubulin subunit beta 0.0058 0.0431 0.0149
Leishmania major beta tubulin 0.0254 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0076 0.1292 0.09
Loa Loa (eye worm) beta-tubulin 0.0254 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0183 0.6544 0.6442
Giardia lamblia Alpha-tubulin 0.0183 0.6544 0.6388
Leishmania major beta tubulin 0.0254 1 1
Loa Loa (eye worm) BEN-1 protein 0.0254 1 1
Echinococcus multilocularis beta tubulin 0.0254 1 1
Echinococcus multilocularis tubulin alpha chain 0.0183 0.6544 0.6442
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Trypanosoma brucei epsilon tubulin 0.0134 0.4134 0.3869
Schistosoma mansoni alpha tubulin 0.0183 0.6544 0.6442
Schistosoma mansoni tubulin subunit beta 0.0254 1 1
Leishmania major beta tubulin 0.0254 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0134 0.4134 0.3869
Trypanosoma brucei beta tubulin 0.0254 1 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0108 0.2841 0.2841
Brugia malayi tubulin alpha chain - mouse 0.0183 0.6544 0.6442
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Echinococcus granulosus alpha tubulin 0.0183 0.6544 0.6442
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.6544 0.6388
Trichomonas vaginalis tubulin alpha chain, putative 0.0076 0.1292 0.09
Brugia malayi alpha-tubulin 0.0183 0.6544 0.6442
Loa Loa (eye worm) tubulin beta-2A chain 0.0254 1 1
Loa Loa (eye worm) tubulin beta chain 0.0058 0.0431 0.0431
Leishmania major gamma-tubulin 0.0134 0.4134 0.3869
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.6544 0.6388
Loa Loa (eye worm) alpha-tubulin 0.0183 0.6544 0.6544
Trichomonas vaginalis tubulin beta chain, putative 0.0254 1 1
Trypanosoma brucei beta tubulin 0.0254 1 1
Trypanosoma brucei alpha tubulin, putative 0.0076 0.1292 0.09
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.6544 0.6388
Schistosoma mansoni tubulin subunit alpha 0.0183 0.6544 0.6442
Echinococcus granulosus Tubulin beta 2C chain 0.0254 1 1
Brugia malayi Tubulin beta chain 0.0076 0.1292 0.1035
Leishmania major beta tubulin 0.0254 1 1
Schistosoma mansoni tubulin subunit delta 0.0058 0.0431 0.0149
Loa Loa (eye worm) tubulin beta-1 chain 0.0254 1 1
Leishmania major beta tubulin 0.0254 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0183 0.6544 0.6442
Loa Loa (eye worm) tubulin alpha chain 0.0183 0.6544 0.6544
Echinococcus granulosus Tubulin alpha 1 chain 0.0183 0.6544 0.6442
Trypanosoma brucei alpha tubulin 0.0183 0.6544 0.6388
Leishmania major beta tubulin 0.0254 1 1
Brugia malayi Tubulin alpha-2 chain 0.0183 0.6544 0.6442
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0076 0.1292 0.09
Loa Loa (eye worm) hypothetical protein 0.0183 0.6544 0.6544
Trypanosoma cruzi epsilon tubulin, putative 0.0134 0.4134 0.3869
Trichomonas vaginalis tubulin alpha chain, putative 0.0076 0.1292 0.09
Entamoeba histolytica tubulin family protein 0.0254 1 1
Brugia malayi Cell division protein ftsZ 0.0058 0.0431 0.0149
Trichomonas vaginalis tubulin alpha chain, putative 0.0254 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0125 0.3703 0.3419
Schistosoma mansoni tubulin subunit beta 0.0254 1 1
Trypanosoma cruzi beta tubulin, putative 0.0254 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0254 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0125 0.3703 0.3703
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0254 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0254 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0254 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0183 0.6544 0.6388
Echinococcus granulosus tubulin alpha 3 chain 0.0183 0.6544 0.6442
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0125 0.3703 0.3703
Toxoplasma gondii beta tubulin 0.0254 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0254 1 1
Trypanosoma brucei beta tubulin 0.0134 0.4134 0.3869
Loa Loa (eye worm) BEN-1 protein 0.0254 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0183 0.6544 0.6442
Echinococcus granulosus tubulin beta 4A class IVa 0.0254 1 1
Toxoplasma gondii alpha-tubulin I, putative 0.0183 0.6544 0.6388
Echinococcus granulosus tubulin alpha 1C chain 0.0183 0.6544 0.6442
Echinococcus granulosus tubulin beta 1 chain 0.0254 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0183 0.6544 0.6442
Trichomonas vaginalis tubulin gamma chain, putative 0.0134 0.4134 0.3869
Schistosoma mansoni tubulin subunit beta 0.0254 1 1
Leishmania major beta tubulin 0.0254 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.6544 0.6388
Schistosoma mansoni tubulin subunit alpha 0.0183 0.6544 0.6442
Schistosoma mansoni tubulin subunit alpha 0.0058 0.0431 0.0149
Echinococcus granulosus beta tubulin 0.0254 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0183 0.6544 0.4108
Leishmania major beta tubulin 0.0254 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0254 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0125 0.3703 0.3703
Leishmania major beta tubulin 0.0254 1 1
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Echinococcus multilocularis hypothetical protein 0.0183 0.6544 0.6442
Schistosoma mansoni tubulin subunit beta 0.0254 1 1
Brugia malayi Tubulin gamma chain 0.0134 0.4134 0.396
Trypanosoma brucei epsilon tubulin 0.0134 0.4134 0.3869
Loa Loa (eye worm) tubulin alpha-2 chain 0.0183 0.6544 0.6544
Trypanosoma cruzi tubulin gamma chain 0.0134 0.4134 0.3869
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0108 0.2841 0.2519
Echinococcus multilocularis tubulin subunit beta 0.0254 1 1
Plasmodium falciparum tubulin gamma chain 0.0134 0.4134 0.3869
Echinococcus granulosus tubulin alpha chain 0.0183 0.6544 0.6442
Echinococcus multilocularis tubulin beta 1 chain 0.0254 1 1
Leishmania major beta tubulin 0.0254 1 1
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Echinococcus multilocularis Tubulin beta 2C chain 0.0254 1 1
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Echinococcus granulosus tubulin alpha chain 0.0183 0.6544 0.6442
Echinococcus granulosus tubulin alpha 1C chain 0.0183 0.6544 0.6442
Entamoeba histolytica tubulin alpha-1 chain 0.0183 0.6544 0.4108
Leishmania major beta tubulin 0.0254 1 1
Plasmodium vivax tubulin beta chain, putative 0.0254 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.0134 0.4134 0.3869
Echinococcus multilocularis tubulin alpha 0.0134 0.4134 0.396
Echinococcus multilocularis tubulin alpha chain 0.0183 0.6544 0.6442
Brugia malayi Tubulin alpha chain 0.0058 0.0431 0.0149
Trypanosoma cruzi alpha tubulin, putative 0.0183 0.6544 0.6388
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Plasmodium falciparum tubulin beta chain 0.0254 1 1
Plasmodium falciparum alpha tubulin 1 0.0183 0.6544 0.6388
Schistosoma mansoni alpha tubulin 0.0183 0.6544 0.6442
Leishmania major beta tubulin 0.0254 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0183 0.6544 0.6442
Brugia malayi Tubulin alpha chain 0.0183 0.6544 0.6442
Schistosoma mansoni alpha tubulin 0.0183 0.6544 0.6442
Schistosoma mansoni tubulin subunit gamma 0.0134 0.4134 0.396
Trichomonas vaginalis tubulin beta chain, putative 0.0183 0.6544 0.6388
Brugia malayi Tubulin beta chain 0.0058 0.0431 0.0149
Echinococcus granulosus tubulin alpha 3 chain 0.0183 0.6544 0.6442
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Trypanosoma brucei tubulin gamma chain 0.0134 0.4134 0.3869
Leishmania major alpha tubulin 0.0183 0.6544 0.6388
Leishmania major beta tubulin 0.0254 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.0254 1 1
Plasmodium falciparum alpha tubulin 2 0.0183 0.6544 0.6388
Echinococcus granulosus tubulin alpha chain 0.0183 0.6544 0.6442
Echinococcus multilocularis Tubulin beta 2C chain 0.0254 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0076 0.1292 0.09
Loa Loa (eye worm) tubulin alpha chain 0.0183 0.6544 0.6544
Echinococcus multilocularis beta tubulin 0.0254 1 1
Loa Loa (eye worm) tubulin beta chain 0.0254 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0183 0.6544 0.6442
Loa Loa (eye worm) tubulin gamma chain 0.0134 0.4134 0.4134
Plasmodium falciparum tubulin epsilon chain, putative 0.0134 0.4134 0.3869
Echinococcus multilocularis tubulin alpha 3 chain 0.0183 0.6544 0.6442
Echinococcus multilocularis tubulin alpha chain 0.0183 0.6544 0.6442
Trichomonas vaginalis tubulin, putative 0.0076 0.1292 0.09
Plasmodium vivax tubulin gamma chain, putative 0.0134 0.4134 0.3869
Toxoplasma gondii beta-tubulin, putative 0.0254 1 1
Giardia lamblia Gamma tubulin 0.0134 0.4134 0.3869
Echinococcus multilocularis tubulin epsilon chain 0.0134 0.4134 0.396
Plasmodium vivax tubulin alpha chain, putative 0.0183 0.6544 0.6388
Echinococcus granulosus beta tubulin 0.0254 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0134 0.4134 0.396
Schistosoma mansoni tubulin subunit beta 0.0254 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0183 0.6544 0.6388
Echinococcus granulosus tubulin alpha chain 0.0183 0.6544 0.6442
Schistosoma mansoni tubulin subunit alpha 0.0183 0.6544 0.6442
Leishmania major beta tubulin 0.0254 1 1
Giardia lamblia Alpha-tubulin 0.0183 0.6544 0.6388
Giardia lamblia Beta tubulin 0.0254 1 1
Mycobacterium leprae cell division protein FtsZ 0.0058 0.0431 0.5
Giardia lamblia Beta tubulin 0.0254 1 1
Trypanosoma brucei alpha tubulin 0.0183 0.6544 0.6388
Echinococcus granulosus Tubulin beta 2C chain 0.0254 1 1
Echinococcus granulosus tubulin alpha chain 0.0183 0.6544 0.6442
Trypanosoma brucei alpha tubulin 0.0183 0.6544 0.6388
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0058 0.0431 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0254 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0254 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0254 1 1
Treponema pallidum cell division protein FtsZ 0.0058 0.0431 0.5
Schistosoma mansoni tubulin subunit epsilon 0.0134 0.4134 0.396
Loa Loa (eye worm) tubulin alpha 2 0.0125 0.3703 0.3703
Echinococcus multilocularis tubulin subunit TubB 0.0183 0.6544 0.6442
Giardia lamblia Beta tubulin 0.0254 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0183 0.6544 0.6442
Plasmodium vivax tubulin epsilon chain, putative 0.0134 0.4134 0.3869
Echinococcus multilocularis tubulin delta chain 0.0058 0.0431 0.0149

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 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) 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
AC50 (functional) 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) 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) = 19.95262315 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
Potency (functional) 0.4654 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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