Detailed information for compound 427929

Basic information

Technical information
  • TDR Targets ID: 427929
  • Name: (Z)-3-(4-chloroanilino)-2-(2-chlorobenzoyl)-N -(3-methylbutan-2-yl)prop-2-enamide
  • MW: 405.318 | Formula: C21H22Cl2N2O2
  • H donors: 2 H acceptors: 2 LogP: 6.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N/C=C(/C(=O)c1ccccc1Cl)\C(=O)NC(C(C)C)C
  • InChi: 1S/C21H22Cl2N2O2/c1-13(2)14(3)25-21(27)18(12-24-16-10-8-15(22)9-11-16)20(26)17-6-4-5-7-19(17)23/h4-14,24H,1-3H3,(H,25,27)/b18-12-
  • InChiKey: USROYZUBSQTDNW-PDGQHHTCSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (Z)-3-(4-chloroanilino)-2-(2-chlorobenzoyl)-N-(1,2-dimethylpropyl)prop-2-enamide
  • (Z)-3-(4-chloroanilino)-2-[(2-chlorophenyl)-oxomethyl]-N-(1,2-dimethylpropyl)-2-propenamide
  • (Z)-3-[(4-chlorophenyl)amino]-2-(2-chlorophenyl)carbonyl-N-(3-methylbutan-2-yl)prop-2-enamide
  • (Z)-3-(4-chloroanilino)-2-(2-chlorobenzoyl)-N-(1,2-dimethylpropyl)acrylamide
  • (Z)-2-(2-chlorobenzoyl)-3-[(4-chlorophenyl)amino]-N-(3-methylbutan-2-yl)prop-2-enamide
  • (Z)-2-(2-chlorobenzoyl)-3-[(4-chlorophenyl)amino]-N-(1,2-dimethylpropyl)prop-2-enamide
  • (Z)-3-[(4-chlorophenyl)amino]-2-[(2-chlorophenyl)-oxomethyl]-N-(1,2-dimethylpropyl)prop-2-enamide
  • (Z)-2-(2-chlorobenzoyl)-3-[(4-chlorophenyl)amino]-N-(1,2-dimethylpropyl)acrylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus GABA-A receptor; alpha-1/beta-2/gamma-2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor Get druggable targets OG5_129441 All targets in OG5_129441
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129441 All targets in OG5_129441
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 391 aa 21.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 401 aa 26.2 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 451 aa 28.4 %
Echinococcus granulosus glycine receptor subunit alpha 1 GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 449 aa 29.8 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 447 aa 28.0 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 434 aa 28.3 %
Onchocerca volvulus Eukaryotic initiation factor 4A-III homolog GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 441 aa 23.8 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 438 aa 27.9 %
Echinococcus multilocularis glycine receptor subunit alpha 1 GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 449 aa 29.8 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 445 aa 33.5 %
Onchocerca volvulus Large subunit GTPase 1 homolog GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 455 aa 25.7 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 451 aa 30.2 %
Onchocerca volvulus Gamma-aminobutyric acid receptor subunit beta homolog GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 449 aa 31.8 %
Echinococcus multilocularis Cys loop ligand gated ion channel subunit GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 397 aa 29.2 %
Loa Loa (eye worm) excitatory GABA receptor EXP-1A GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 435 aa 29.0 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 473 aa 27.5 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 421 aa 26.8 %
Onchocerca volvulus Putative cys-loop ligand gated ion channel subunit GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 420 aa 33.1 %
Brugia malayi Cation transporter family protein GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 448 aa 27.7 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 412 aa 33.7 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 444 aa 25.4 %
Schistosoma japonicum ko:K05195 glycine receptor, alpha 3, putative GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 489 aa 29.2 %
Schistosoma mansoni Cys-loop ligand gated ion channel subunit GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 490 aa 29.6 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 461 aa 27.8 %
Echinococcus multilocularis glycine receptor subunit beta GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 422 aa 28.2 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 438 aa 26.0 %
Onchocerca volvulus GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 461 aa 24.5 %
Loa Loa (eye worm) hypothetical protein GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 460 aa 26.5 %
Schistosoma japonicum ko:K05194 glycine receptor, alpha 2, putative GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 432 aa 29.9 %
Echinococcus granulosus glycine receptor subunit beta GABA-A receptor; alpha-1/beta-2/gamma-2   455 aa 424 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Tubulin alpha 1 chain 0.0096 0.3192 1
Plasmodium falciparum alpha tubulin 2 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Loa Loa (eye worm) tubulin gamma chain 0.0096 0.3192 0.3192
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0096 0.3192 1
Trypanosoma brucei beta tubulin 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Brugia malayi tubulin alpha-2 chain 0.0096 0.3192 0.3192
Leishmania major beta tubulin 0.0096 0.3192 1
Toxoplasma gondii alpha-tubulin I, putative 0.0096 0.3192 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0096 0.3192 1
Brugia malayi Tubulin alpha chain 0.0096 0.3192 0.3192
Trypanosoma brucei alpha tubulin, putative 0.0054 0.0743 0.2326
Trichomonas vaginalis tubulin beta chain, putative 0.0096 0.3192 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0096 0.3192 1
Trypanosoma cruzi alpha tubulin, putative 0.0096 0.3192 1
Echinococcus multilocularis tubulin subunit beta 0.0096 0.3192 1
Entamoeba histolytica tubulin gamma chain 0.0096 0.3192 0.5
Echinococcus granulosus tubulin subunit TubB 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit beta 0.0096 0.3192 1
Echinococcus granulosus tubulin alpha chain 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit beta 0.0096 0.3192 1
Toxoplasma gondii beta-1 tubulin, putative 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit alpha 0.0096 0.3192 1
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0743 0.2326
Echinococcus multilocularis tubulin alpha 1C chain 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Mycobacterium ulcerans cell division protein FtsZ 0.0042 0 0.5
Echinococcus granulosus tubulin alpha 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit gamma 0.0096 0.3192 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0096 0.3192 1
Loa Loa (eye worm) tubulin alpha chain 0.0096 0.3192 0.3192
Loa Loa (eye worm) tubulin beta chain 0.0096 0.3192 0.3192
Trichomonas vaginalis tubulin gamma chain, putative 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit epsilon 0.0096 0.3192 1
Giardia lamblia Beta tubulin 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Echinococcus granulosus alpha tubulin 0.0096 0.3192 1
Echinococcus granulosus Tubulin beta 2C chain 0.0096 0.3192 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0042 0 0.5
Schistosoma mansoni alpha tubulin 0.0096 0.3192 1
Trypanosoma brucei epsilon tubulin 0.0096 0.3192 1
Echinococcus multilocularis tubulin alpha chain 0.0096 0.3192 1
Plasmodium vivax tubulin epsilon chain, putative 0.0096 0.3192 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0096 0.3192 1
Trichomonas vaginalis tubulin beta chain, putative 0.0096 0.3192 1
Plasmodium vivax tubulin gamma chain, putative 0.0096 0.3192 1
Trypanosoma cruzi epsilon tubulin, putative 0.0096 0.3192 1
Echinococcus multilocularis tubulin beta 1 chain 0.0096 0.3192 1
Echinococcus granulosus peroxisome assembly protein 26 0.0096 0.3192 1
Trypanosoma brucei epsilon tubulin 0.0096 0.3192 1
Entamoeba histolytica tubulin family protein 0.0096 0.3192 0.5
Leishmania major alpha tubulin 0.0096 0.3192 1
Entamoeba histolytica tubulin alpha chain, putative 0.0096 0.3192 0.5
Echinococcus multilocularis beta tubulin 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit beta 0.0096 0.3192 1
Plasmodium vivax tubulin alpha chain, putative 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Giardia lamblia Alpha-tubulin 0.0096 0.3192 1
Brugia malayi beta-tubulin, identical 0.0096 0.3192 0.3192
Echinococcus multilocularis tubulin alpha 3 chain 0.0096 0.3192 1
Plasmodium vivax tubulin alpha chain, putative 0.0096 0.3192 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Giardia lamblia Beta tubulin 0.0096 0.3192 1
Trypanosoma brucei beta tubulin 0.0096 0.3192 1
Trichomonas vaginalis tubulin beta chain, putative 0.0096 0.3192 1
Giardia lamblia Gamma tubulin 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit beta 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit beta 0.0096 0.3192 1
Plasmodium falciparum tubulin beta chain 0.0096 0.3192 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0096 0.3192 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0096 0.3192 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0096 0.3192 1
Echinococcus multilocularis tubulin alpha chain 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0096 0.3192 0.3192
Giardia lamblia Beta tubulin 0.0096 0.3192 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0743 0.0743
Echinococcus multilocularis tubulin alpha 3 chain 0.0096 0.3192 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0096 0.3192 0.3192
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0054 0.0743 0.2326
Echinococcus granulosus Tubulin beta 2C chain 0.0096 0.3192 1
Echinococcus granulosus tubulin subunit beta 0.0096 0.3192 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0096 0.3192 1
Echinococcus granulosus tubulin alpha chain 0.0096 0.3192 1
Trichomonas vaginalis tubulin, putative 0.0054 0.0743 0.2326
Echinococcus multilocularis tubulin subunit TubB 0.0096 0.3192 1
Echinococcus granulosus tubulin epsilon chain 0.0096 0.3192 1
Loa Loa (eye worm) tubulin alpha chain 0.0096 0.3192 0.3192
Echinococcus granulosus tubulin alpha chain 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Brugia malayi Tubulin beta-1 chain 0.0096 0.3192 0.3192
Treponema pallidum cell division protein FtsZ 0.0042 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Echinococcus multilocularis tubulin alpha 0.0096 0.3192 1
Loa Loa (eye worm) tubulin alpha 2 0.0054 0.0743 0.0743
Leishmania major beta tubulin 0.0096 0.3192 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Loa Loa (eye worm) BEN-1 protein 0.0096 0.3192 0.3192
Onchocerca volvulus 0.0054 0.0743 0.5
Echinococcus multilocularis peroxisome assembly protein 26 0.0096 0.3192 1
Trypanosoma cruzi tubulin gamma chain 0.0096 0.3192 1
Echinococcus granulosus tubulin alpha chain 0.0096 0.3192 1
Echinococcus granulosus Tubulin beta 2C chain 0.0096 0.3192 1
Trypanosoma cruzi beta tubulin, putative 0.0096 0.3192 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0096 0.3192 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0096 0.3192 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0096 0.3192 1
Toxoplasma gondii alpha tubulin TUBA1 0.0096 0.3192 1
Trypanosoma brucei alpha tubulin 0.0096 0.3192 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0096 0.3192 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0054 0.0743 0.2326
Mycobacterium leprae cell division protein FtsZ 0.0042 0 0.5
Leishmania major alpha tubulin 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Loa Loa (eye worm) alpha-tubulin 0.0096 0.3192 0.3192
Echinococcus granulosus Tubulin beta 2C chain 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0096 0.3192 1
Trypanosoma brucei alpha tubulin 0.0096 0.3192 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0096 0.3192 1
Loa Loa (eye worm) tubulin alpha 2 0.0054 0.0743 0.0743
Echinococcus granulosus tubulin alpha 1C chain 0.0096 0.3192 1
Trypanosoma brucei epsilon tubulin 0.0096 0.3192 1
Trypanosoma brucei alpha tubulin 0.0096 0.3192 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0096 0.3192 1
Brugia malayi Tubulin alpha-2 chain 0.0096 0.3192 0.3192
Echinococcus multilocularis tubulin alpha chain 0.0096 0.3192 1
Echinococcus granulosus tubulin gamma 1 chain 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit beta 0.0096 0.3192 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0054 0.0743 0.0743
Echinococcus multilocularis Tubulin beta 2C chain 0.0096 0.3192 1
Echinococcus granulosus tubulin alpha 3 chain 0.0096 0.3192 1
Echinococcus multilocularis tubulin alpha chain 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Echinococcus granulosus tubulin alpha 3 chain 0.0096 0.3192 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0096 0.3192 1
Echinococcus multilocularis tubulin epsilon chain 0.0096 0.3192 1
Echinococcus multilocularis tubulin alpha chain 0.0096 0.3192 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0054 0.0743 0.2326
Brugia malayi Tubulin alpha-2 chain 0.0096 0.3192 0.3192
Schistosoma mansoni tubulin subunit alpha 0.0096 0.3192 1
Schistosoma mansoni tubulin subunit alpha 0.0096 0.3192 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0096 0.3192 0.3192
Toxoplasma gondii beta tubulin 0.0096 0.3192 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0096 0.3192 1
Brugia malayi Tubulin beta chain 0.0054 0.0743 0.0743
Trichomonas vaginalis tubulin beta chain, putative 0.0096 0.3192 1
Leishmania major alpha tubulin 0.0096 0.3192 1
Echinococcus granulosus beta tubulin 0.0096 0.3192 1
Plasmodium falciparum tubulin gamma chain 0.0096 0.3192 1
Trichomonas vaginalis tubulin beta chain, putative 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Brugia malayi tubulin alpha chain - mouse 0.0096 0.3192 0.3192
Entamoeba histolytica tubulin alpha-1 chain 0.0096 0.3192 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0096 0.3192 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.3192 0.3192
Trypanosoma brucei tubulin gamma chain 0.0096 0.3192 1
Echinococcus granulosus tubulin alpha 1C chain 0.0096 0.3192 1
Plasmodium falciparum alpha tubulin 1 0.0096 0.3192 1
Giardia lamblia Alpha-tubulin 0.0096 0.3192 1
Leishmania major beta tubulin 0.0096 0.3192 1
Trypanosoma brucei beta tubulin 0.0096 0.3192 1
Trichomonas vaginalis tubulin beta chain, putative 0.0096 0.3192 1
Loa Loa (eye worm) hypothetical protein 0.0204 0.9591 0.9591
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0042 0 0.5
Entamoeba histolytica tubulin family protein 0.0096 0.3192 0.5
Loa Loa (eye worm) tubulin alpha-2 chain 0.0096 0.3192 0.3192
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0054 0.0743 0.2326
Loa Loa (eye worm) hypothetical protein 0.0211 1 1
Leishmania major beta tubulin 0.0096 0.3192 1
Trichomonas vaginalis tubulin beta chain, putative 0.0096 0.3192 1
Brugia malayi alpha-tubulin 0.0096 0.3192 0.3192
Leishmania major gamma-tubulin 0.0096 0.3192 1
Schistosoma mansoni alpha tubulin 0.0096 0.3192 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0096 0.3192 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0096 0.3192 1
Echinococcus granulosus beta tubulin 0.0096 0.3192 1
Trichomonas vaginalis tubulin, putative 0.0054 0.0743 0.2326
Schistosoma mansoni alpha tubulin 0.0096 0.3192 1
Toxoplasma gondii beta-tubulin, putative 0.0096 0.3192 1
Echinococcus granulosus tubulin beta 1 chain 0.0096 0.3192 1
Loa Loa (eye worm) BEN-1 protein 0.0096 0.3192 0.3192
Leishmania major beta tubulin 0.0096 0.3192 1
Echinococcus multilocularis hypothetical protein 0.0096 0.3192 1
Trypanosoma brucei beta tubulin 0.0096 0.3192 1
Trichomonas vaginalis tubulin, putative 0.0096 0.3192 1
Leishmania major epsilon tubulin, putative 0.0096 0.3192 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0054 0.0743 0.2326
Plasmodium vivax tubulin beta chain, putative 0.0096 0.3192 1
Loa Loa (eye worm) alpha-tubulin 0.0096 0.3192 0.3192
Leishmania major beta tubulin 0.0096 0.3192 1
Trypanosoma brucei beta tubulin 0.0096 0.3192 1
Trypanosoma brucei alpha tubulin 0.0096 0.3192 1
Brugia malayi Tubulin gamma chain 0.0096 0.3192 0.3192
Echinococcus multilocularis beta tubulin 0.0096 0.3192 1
Trypanosoma cruzi epsilon tubulin, putative 0.0096 0.3192 1
Echinococcus granulosus tubulin alpha chain 0.0096 0.3192 1
Loa Loa (eye worm) beta-tubulin 0.0096 0.3192 0.3192

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Anticonvulsant activity against pentylenetetrazole-induced seizures in non-Swiss Albino mouse at 50 mg/kg, ip ChEMBL. 17571865
Activity (functional) 0 Anticonvulsant activity against pentylenetetrazole-induced seizures in non-Swiss Albino mouse at 50 mg/kg, ip ChEMBL. 17571865
IC50 (binding) = 6.4 Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptor ChEMBL. 20684859
IC50 (binding) = 400 nM Displacement of [35S]TBPS from GABAA receptor in Sprague-Dawley rat cortex membrane ChEMBL. 17571865
Imax (binding) = 94 % Displacement of [35S]TBPS from GABAA receptor in Sprague-Dawley rat cortex membrane ChEMBL. 17571865

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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