TDR Targets

Basic information

Technical information

TDR Targets ID: 1189496
Name: 2-chloro-1-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)- 2-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-10,1 3-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17- tetradecahydro-1H-cyclopenta[a]phenanthren-17 -yl]ethanone
MW: 466.096 | Formula: C27H44ClNO3
H donors: 1 H acceptors: 2 LogP: 5.48 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: ClCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@@H]([C@H](C2)O)N1CCOC(C1)(C)C
InChi: 1S/C27H44ClNO3/c1-25(2)16-29(11-12-32-25)22-14-27(4)17(13-23(22)30)5-6-18-19-7-8-21(24(31)15-28)26(19,3)10-9-20(18)27/h17-23,30H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,26-,27-/m0/s1
InChiKey: OLHMODZTGIHCMB-MOKQGQCQSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-chloro-1-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2-(2,2-dimethyl-4-morpholinyl)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	GABA-A receptor; anion channel	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	454 aa	29.5 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	434 aa	26.7 %
Echinococcus granulosus	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	439 aa	29.6 %
Echinococcus multilocularis	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	446 aa	28.0 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	GABA-A receptor; anion channel	467 aa	375 aa	21.9 %
Onchocerca volvulus	Eukaryotic initiation factor 4A-III homolog	GABA-A receptor; anion channel	467 aa	453 aa	26.9 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	441 aa	33.8 %
Onchocerca volvulus	Gamma-aminobutyric acid receptor subunit beta homolog	GABA-A receptor; anion channel	467 aa	433 aa	34.6 %
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	GABA-A receptor; anion channel	467 aa	479 aa	29.2 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	494 aa	25.5 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	GABA-A receptor; anion channel	467 aa	379 aa	19.3 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	435 aa	29.7 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	GABA-A receptor; anion channel	467 aa	496 aa	26.0 %
Echinococcus multilocularis	glycine receptor subunit beta	GABA-A receptor; anion channel	467 aa	478 aa	28.7 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	461 aa	27.8 %
Echinococcus granulosus	glycine receptor subunit alpha 1	GABA-A receptor; anion channel	467 aa	430 aa	32.3 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	GABA-A receptor; anion channel	467 aa	418 aa	19.6 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	468 aa	28.6 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	GABA-A receptor; anion channel	467 aa	384 aa	19.5 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	454 aa	30.4 %
Brugia malayi	Cation transporter family protein	GABA-A receptor; anion channel	467 aa	453 aa	28.5 %
Loa Loa (eye worm)	hypothetical protein	GABA-A receptor; anion channel	467 aa	446 aa	29.1 %
Onchocerca volvulus		GABA-A receptor; anion channel	467 aa	447 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable lipase LipD	0.0075	0.0167	0.0113
Loa Loa (eye worm)	MH1 domain-containing protein	0.0075	0.0167	0.0389
Schistosoma mansoni	hypothetical protein	0.0152	0.0435	0.4019
Mycobacterium ulcerans	lipase LipD	0.0075	0.0167	0.0113
Echinococcus granulosus	mothers against decapentaplegic 5	0.0075	0.0167	0.0381
Mycobacterium ulcerans	hypothetical protein	0.0075	0.0167	0.0113
Loa Loa (eye worm)	beta-lactamase	0.0075	0.0167	0.0388
Brugia malayi	MH1 domain containing protein	0.0041	0.0051	0.0075
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0152	0.0435	0.1089
Onchocerca volvulus		0.0075	0.0167	0.184
Echinococcus granulosus	dna polymerase eta	0.0042	0.0055	0.0082
Loa Loa (eye worm)	MH2 domain-containing protein	0.0075	0.0167	0.0389
Schistosoma mansoni	smad1 5 8 and	0.0075	0.0167	0.1404
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.004	0.0044
Mycobacterium ulcerans	hypothetical protein	0.017	0.0495	0.0442
Echinococcus granulosus	tumor protein p63	0.1123	0.3796	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0175	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0169	0.0392
Schistosoma mansoni	hypothetical protein	0.0152	0.0435	0.4019
Loa Loa (eye worm)	MH2 domain-containing protein	0.11	0.3717	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.0083	0.0029
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0226	0.0548
Brugia malayi	Probable ClpP-like protease	0.0077	0.0175	0.041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0226	0.1979
Schistosoma mansoni	smad	0.0075	0.0167	0.1404
Toxoplasma gondii	hypothetical protein	0.0052	0.0088	0.4992
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0322	0.1022	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0152	0.0435	0.1089
Mycobacterium ulcerans	histidinol dehydrogenase	0.2915	1	1
Echinococcus multilocularis	Smad4	0.0075	0.0167	0.0381
Schistosoma mansoni	smad1 5 8 and	0.0075	0.0167	0.1404
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0055	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0475	0.1553	0.4141
Echinococcus multilocularis	smad	0.0075	0.0167	0.0381
Echinococcus granulosus	dna polymerase kappa	0.0042	0.0055	0.0082
Schistosoma mansoni	hypothetical protein	0.0097	0.0243	0.2149
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0042	0.0055	0.0302
Onchocerca volvulus		0.0164	0.0477	0.5815
Loa Loa (eye worm)	hypothetical protein	0.0125	0.034	0.0856
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.0175	0.0175
Onchocerca volvulus		0.0259	0.0803	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0259	0.0803	0.211
Loa Loa (eye worm)	Smad1	0.0075	0.0167	0.0389
Mycobacterium tuberculosis	Conserved hypothetical protein	0.017	0.0495	0.0442
Brugia malayi	Bromodomain containing protein	0.008	0.0184	0.0435
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0152	0.0435	0.1112
Echinococcus multilocularis	lamin	0.0259	0.0803	0.2066
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0128	0.0276
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0322	0.1022	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0097	0.0243	0.0595
Brugia malayi	Bromodomain containing protein	0.0041	0.0049	0.0068
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0075	0.0167	0.0388
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0075	0.0167	0.038
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0152	0.0435	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0167	0.0388
Brugia malayi	beta-lactamase family protein	0.0075	0.0167	0.0388
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0435	0.1112
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0075	0.0167	0.0113
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0064	0.0102
Trypanosoma brucei	DNA polymerase eta, putative	0.0042	0.0055	0.045
Echinococcus multilocularis	lamin dm0	0.0259	0.0803	0.2066
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0175	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.0099	0.0456
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0481	0.1573	0.4194
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0075	0.0167	0.1404
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0167	0.0388
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0322	0.1022	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0786	0.2629	0.6907
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0049	0.0069
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0175	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0167	1
Brugia malayi	Latrophilin receptor protein 2	0.0152	0.0435	0.1112
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0167	0.0388
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0075	0.0167	0.0381
Brugia malayi	MH1 domain containing protein	0.0075	0.0167	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0481	0.1573	0.4194
Brugia malayi	ImpB/MucB/SamB family protein	0.0042	0.0055	0.0083
Brugia malayi	Smad1	0.0075	0.0167	0.0389
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0152	0.0435	0.3933
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.015	0.0427	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0477	0.1227
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0175	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.004	0.0044
Mycobacterium leprae	conserved hypothetical protein	0.0075	0.0167	0.0167
Mycobacterium ulcerans	esterase/lipase LipP	0.0075	0.0167	0.0113
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0481	0.1573	0.4194
Mycobacterium tuberculosis	Probable esterase LipL	0.0075	0.0167	0.0113
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0167	0.0113
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0167	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0226	0.0536
Leishmania major	hypothetical protein, conserved	0.0075	0.0167	0.1164
Toxoplasma gondii	ABC1 family protein	0.0075	0.0167	0.9538
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0226	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0167	0.0388
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0175	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.015	0.0427	0.1068
Onchocerca volvulus		0.0075	0.0167	0.184
Echinococcus granulosus	GPCR family 2	0.0152	0.0435	0.1089
Mycobacterium tuberculosis	Probable hydrolase	0.0075	0.0167	0.0113
Trichomonas vaginalis	penicillin-binding protein, putative	0.0075	0.0167	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0075	0.0167	0.038
Entamoeba histolytica	hypothetical protein	0.015	0.0427	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0042	0.0055	0.0082
Leishmania major	mitochondrial DNA polymerase beta	0.0322	0.1022	1
Echinococcus granulosus	survival motor neuron protein 1	0.0475	0.1553	0.4054
Schistosoma mansoni	DNA polymerase eta	0.0042	0.0055	0.0302
Mycobacterium tuberculosis	Probable lipase LipE	0.0075	0.0167	0.0113
Echinococcus multilocularis	GPCR, family 2	0.0152	0.0435	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0254	0.0787	0.2065
Echinococcus multilocularis	survival motor neuron protein 1	0.0475	0.1553	0.4054
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0042	0.0055	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0065	0.0112
Schistosoma mansoni	hypothetical protein	0.015	0.0427	0.394
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.0083	0.0083
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0226	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0051	0.0075
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0042	0.0055	0.0083
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.0175	0.0402
Schistosoma mansoni	Smad4	0.0075	0.0167	0.1404
Brugia malayi	beta-lactamase	0.0075	0.0167	0.0388
Brugia malayi	Intermediate filament tail domain containing protein	0.0259	0.0803	0.211
Brugia malayi	MH1 domain containing protein	0.0041	0.0051	0.0075
Brugia malayi	hypothetical protein	0.015	0.0427	0.109
Loa Loa (eye worm)	hypothetical protein	0.0329	0.1046	0.2767
Brugia malayi	beta-lactamase family protein	0.0075	0.0167	0.0388
Loa Loa (eye worm)	hypothetical protein	0.012	0.0323	0.0811
Loa Loa (eye worm)	transcription factor SMAD2	0.11	0.3717	1
Mycobacterium leprae	Probable lipase LipE	0.0075	0.0167	0.0167
Trichomonas vaginalis	esterase, putative	0.0075	0.0167	1
Echinococcus granulosus	Smad4	0.0075	0.0167	0.0381
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0152	0.0435	0.3933
Schistosoma mansoni	lamin	0.0259	0.0803	0.7624
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0167	0.0388
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0075	0.0167	0.0381
Brugia malayi	MH1 domain containing protein	0.0075	0.0167	0.0389
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.0175	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0175	0.0121
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0139	0.0387	0.0984
Entamoeba histolytica	hypothetical protein	0.015	0.0427	1
Brugia malayi	MH2 domain containing protein	0.11	0.3717	1
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0167	0.0113
Mycobacterium tuberculosis	Conserved protein	0.0075	0.0167	0.0113
Echinococcus multilocularis	dna polymerase kappa	0.0042	0.0055	0.0082
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0042	0.0055	0.0302
Schistosoma mansoni	transcription factor LCR-F1	0.015	0.0427	0.394
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.0083	0.0029
Schistosoma mansoni	cellular tumor antigen P53	0.0164	0.0477	0.4433
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.0083	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0058	0.0093
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0167	0.1403
Brugia malayi	MH2 domain containing protein	0.0075	0.0167	0.0389
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0075	0.0167	0.0113
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0479	0.1565	0.1519
Onchocerca volvulus		0.0259	0.0803	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0226	0.1979
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0125	0.034	0.0838
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0075	0.0167	0.0113
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0175	0.0121
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0175	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0152	0.0435	0.4206
Trypanosoma brucei	unspecified product	0.0042	0.0055	0.045
Echinococcus granulosus	intermediate filament protein	0.0259	0.0803	0.2066
Echinococcus granulosus	lamin dm0	0.0259	0.0803	0.2066
Loa Loa (eye worm)	hypothetical protein	0.012	0.0323	0.0811
Entamoeba histolytica	hypothetical protein	0.015	0.0427	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0128	0.0276
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0125	0.034	0.0838
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0152	0.0435	0.1112
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0055	0.045
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0175	0.041
Brugia malayi	cytoplasmic intermediate filament protein	0.0139	0.0387	0.0984
Brugia malayi	hypothetical protein	0.0475	0.1553	0.4141
Echinococcus multilocularis	dna polymerase eta	0.0042	0.0055	0.0082
Echinococcus granulosus	lamin	0.0259	0.0803	0.2066
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.0175	0.1482
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0167	0.1164
Giardia lamblia	DINP protein human, muc B family	0.0042	0.0055	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0075	0.0167	0.1561
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Brugia malayi	intermediate filament protein	0.0259	0.0803	0.211
Schistosoma mansoni	intermediate filament proteins	0.0259	0.0803	0.7624
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0226	0.1979
Mycobacterium ulcerans	beta-lactamase	0.0075	0.0167	0.0113
Schistosoma mansoni	survival motor neuron protein	0.0097	0.0243	0.2149
Brugia malayi	ImpB/MucB/SamB family protein	0.0042	0.0055	0.0083
Schistosoma mansoni	lamin	0.0259	0.0803	0.7624
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0167	1
Loa Loa (eye worm)	nuclear factor I	0.0041	0.0051	0.0075
Mycobacterium tuberculosis	Probable histidinol dehydrogenase HisD (HDH)	0.2915	1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0075	0.0167	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0167	0.0388
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0075	0.0167	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0259	0.0803	0.211
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.0175	0.0402
Trichomonas vaginalis	D-aminoacylase, putative	0.0075	0.0167	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0175	1
Schistosoma mansoni	hypothetical protein	0.0152	0.0435	0.4019
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0045	0.0064	0.0102
Plasmodium vivax	hypothetical protein, conserved	0.0075	0.0167	0.9538
Schistosoma mansoni	hypothetical protein	0.0329	0.1046	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0481	0.1573	0.4194
Echinococcus multilocularis	tumor protein p63	0.1123	0.3796	1
Brugia malayi	MH2 domain containing protein	0.0075	0.0167	0.0389
Schistosoma mansoni	hypothetical protein	0.0152	0.0435	0.4019
Trypanosoma cruzi	hypothetical protein, conserved	0.0075	0.0167	0.1164
Trypanosoma brucei	DNA polymerase kappa, putative	0.0042	0.0055	0.045
Echinococcus multilocularis	musashi	0.0259	0.0803	0.2066
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0055	0.045
Echinococcus granulosus	smad	0.0075	0.0167	0.0381
Schistosoma mansoni	smad1 5 8 and	0.0075	0.0167	0.1404
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.0083	0.0157
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0045	0.0064	0.0547
Brugia malayi	latrophilin 2 splice variant baaae	0.0329	0.1046	0.2767
Loa Loa (eye worm)	intermediate filament protein	0.0259	0.0803	0.211
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0064	0.0102
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0152	0.0435	0.1089
Trypanosoma brucei	DNA polymerase IV, putative	0.0042	0.0055	0.045
Onchocerca volvulus		0.0097	0.0243	0.2818
Entamoeba histolytica	hypothetical protein	0.015	0.0427	1
Schistosoma mansoni	bromodomain containing protein	0.0067	0.0141	0.1149
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0226	0.0536
Onchocerca volvulus		0.0075	0.0167	0.184
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0226	0.0536
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0167	0.1403
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0075	0.0167	0.0113

Activities

Activity type	Activity value	Assay description	Source	Reference
HD50 (functional)	= 17.6 uM kg-1	Hypnotic dose was determined by observing loss of righting reflex for a minimum period of 30 sec in 50% of treated mice after i.v. administration.	ChEMBL.	9171876
IC50 (binding)	= 39 nM	The concentration of the compound required to inhibit 50% of binding of [35S]-TBPS to Gamma-aminobutyric-acid A receptor to rat whole brain membranes.	ChEMBL.	9171876
POT (functional)	= 380 nM	Concentration required to potentiate GABA-evoked currents in voltage-clamped bovine chromaffin cells by 300%	ChEMBL.	9171876
SD (functional)	= 11.7 min	Effect on interval between loss of righting reflex and return to righting reflex (sleep duration) was measured at a dose twice that of hypnotic dose.	ChEMBL.	9171876

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL1790258

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1189496