TDR Targets

Basic information

Technical information

TDR Targets ID: 26481
Name: N-[[(2S)-1-butylpyrrolidin-2-yl]methyl]-4-met hyl-6-methylsulfanyl-2,3-dihydro-1,4-benzoxaz ine-8-carboxamide
MW: 377.544 | Formula: C20H31N3O2S
H donors: 1 H acceptors: 1 LogP: 3.42 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN1CCC[C@H]1CNC(=O)c1cc(SC)cc2c1OCCN2C
InChi: 1S/C20H31N3O2S/c1-4-5-8-23-9-6-7-15(23)14-21-20(24)17-12-16(26-3)13-18-19(17)25-11-10-22(18)2/h12-13,15H,4-11,14H2,1-3H3,(H,21,24)/t15-/m0/s1
InChiKey: SZKKGHLUAWSFSZ-HNNXBMFYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-[[(2S)-1-butyl-2-pyrrolidinyl]methyl]-4-methyl-6-(methylthio)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
N-[[(2S)-1-butylpyrrolidin-2-yl]methyl]-4-methyl-6-(methylthio)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 2 (5-HT2) receptor	Starlite/ChEMBL	No references
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	No references
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	No 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_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D2 receptor	444 aa	452 aa	30.1 %
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	Dopamine D2 receptor	444 aa	487 aa	23.8 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	407 aa	23.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	436 aa	23.9 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	390 aa	33.6 %
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	Serotonin 1a (5-HT1a) receptor	422 aa	350 aa	20.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0067	0.3476
Brugia malayi	Bromodomain containing protein	0.0032	0.0241	0.0527
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.01	0.0216
Brugia malayi	Bromodomain containing protein	0.0078	0.0827	0.1815
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0159	0.1856	0.21
Plasmodium vivax	hypothetical protein, conserved	0.003	0.021	0.8865
Toxoplasma gondii	exonuclease III APE	0.0019	0.0076	0.0009
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0067	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0072	0.075	0.1646
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0076	0.4173
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0053	0.0038
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0449	0.0987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0154	0.0308
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0067	0.0053
Brugia malayi	Cytochrome P450 family protein	0.0015	0.002	0.004
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0018	0.0067	0.833
Brugia malayi	Bromodomain containing protein	0.0039	0.0329	0.072
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0481	0.1054
Schistosoma mansoni	cpg binding protein	0.0033	0.0251	0.0264
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0369	0.455	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0159	0.1856	0.408
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.0628	0.1381
Onchocerca volvulus		0.0031	0.0228	0.0084
Schistosoma mansoni	ap endonuclease	0.0019	0.0076	0.0064
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0082	0.0877	0.1928
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0076	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0067	0.0143
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.021	0.0462
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.002	0.004
Loa Loa (eye worm)	DOMON domain-containing protein	0.0071	0.0735	0.1613
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0053	0.0117
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0076	0.4173
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0049	0.0454	0.0997
Echinococcus multilocularis	serotonin receptor	0.0159	0.1856	0.408
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0076	0.0652
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0018	0.0067	0.833
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0076	0.0167
Plasmodium vivax	SET domain protein, putative	0.0031	0.0228	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0449	0.0491
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0359	0.0788
Echinococcus granulosus	epidermal growth factor receptor	0.0152	0.1778	0.3907
Onchocerca volvulus		0.0071	0.0735	0.1956
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0076	0.5
Echinococcus multilocularis		0.0047	0.0434	0.0954
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.1072	0.2355
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0361	0.079
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.0067	0.351
Echinococcus multilocularis	serotonin receptor	0.0159	0.1856	0.408
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0067	0.0146
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0205	0.0447
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0067	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0039	0.033	0.0722
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0067	0.3476
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.1072	0.2355
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0817	0.0911
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0076	0.0167
Echinococcus granulosus	cpg binding protein	0.0033	0.0251	0.0551
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0067	0.0143
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0369	0.455	0.518
Brugia malayi	DOMON domain containing protein	0.0071	0.0735	0.1613
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0067	0.3476
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.021	0.0145
Brugia malayi	Furin-like cysteine rich region family protein	0.0152	0.1778	0.3905
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0076	0.0033
Trypanosoma cruzi	ISWI complex protein	0.0016	0.003	0.0785
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0067	0.3476
Mycobacterium leprae	putative cytochrome p450	0.0015	0.002	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0015	0.002	0.5
Schistosoma mansoni	tyrosine kinase	0.0152	0.1778	0.201
Schistosoma mansoni	hypothetical protein	0.003	0.021	0.0218
Brugia malayi	Cytochrome P450 family protein	0.0015	0.002	0.004
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.021	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0449	0.0984
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.021	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1856	0.4078
Schistosoma mansoni	tyrosine kinase	0.0049	0.0454	0.0496
Brugia malayi	F/Y-rich N-terminus family protein	0.0022	0.0108	0.0235
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.002	0.004
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0076	0.0164
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0076	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0146	0.0144
Schistosoma mansoni	ap endonuclease	0.0019	0.0076	0.0064
Echinococcus multilocularis	insulin receptor	0.0049	0.0454	0.0997
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0152	0.1778	0.3905
Schistosoma mansoni	zinc finger protein	0.0022	0.0107	0.01
Plasmodium falciparum	phd finger protein, putative	0.003	0.021	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0205	0.0211
Echinococcus multilocularis	epidermal growth factor receptor	0.0082	0.0877	0.1928
Loa Loa (eye worm)	hypothetical protein	0.0369	0.455	1
Schistosoma mansoni	peptidylglycine monooxygenase	0.0369	0.455	0.518
Onchocerca volvulus		0.0071	0.0735	0.1956
Echinococcus granulosus	zinc finger protein	0.0022	0.0107	0.0236
Schistosoma mansoni	hypothetical protein	0.0021	0.01	0.0091
Leishmania major	hypothetical protein, conserved	0.0016	0.003	0.1881
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0053	0.0038
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0025	0.0154	1
Onchocerca volvulus		0.0242	0.2916	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0336	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0109	0.0237
Schistosoma mansoni	dopamine-beta-monooxygenase	0.07	0.8765	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0067	0.3476
Loa Loa (eye worm)	DOMON domain-containing protein	0.0071	0.0735	0.1613
Brugia malayi	jmjC domain containing protein	0.0097	0.1072	0.2353
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0018	0.0067	0.833
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0067	0.0146
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0076	0.0033
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0449	0.0491
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0067	0.3476
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0025	0.0154	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0228	0.0237
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0228	0.05
Brugia malayi	Cytochrome P450 family protein	0.0015	0.002	0.004
Loa Loa (eye worm)	cytochrome P450	0.0015	0.002	0.004
Brugia malayi	Protein kinase domain containing protein	0.0049	0.0454	0.0994
Loa Loa (eye worm)	hypothetical protein	0.003	0.021	0.0459
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0449	0.0987
Brugia malayi	DOMON domain containing protein	0.0071	0.0735	0.1613
Loa Loa (eye worm)	TK/INSR protein kinase	0.0049	0.0454	0.0994
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0076	1
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.2916	1
Schistosoma mansoni	tyrosine kinase	0.0082	0.0877	0.0981
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0228	0.0237
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0205	0.0451
Echinococcus multilocularis	peregrin	0.0032	0.0241	0.053
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0076	0.1068
Echinococcus multilocularis	serine protein kinase ATM	0.0025	0.0154	0.0339
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0067	0.0146
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0369	0.455	1
Echinococcus granulosus	cytochrome P450 2K1	0.0015	0.002	0.0044
Schistosoma mansoni	tyrosine kinase	0.0082	0.0877	0.0981
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.2543	0.5587
Schistosoma mansoni	tyrosine kinase	0.0049	0.0454	0.0496
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0076	0.0164
Schistosoma mansoni	tyrosine kinase	0.0081	0.0866	0.0968
Schistosoma mansoni	bromodomain containing protein	0.0066	0.0675	0.0749
Echinococcus multilocularis		0.0015	0.002	0.0044
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0067	0.0146
Brugia malayi	Cytochrome P450 family protein	0.0015	0.002	0.004
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0146	0.032
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0369	0.455	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0336	0.0739
Echinococcus granulosus	peregrin	0.0032	0.0241	0.053
Trypanosoma cruzi	ISWI complex protein	0.0016	0.003	0.0785
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0018	0.0062	0.0049
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0018	0.0067	0.833
Brugia malayi	Pre-SET motif family protein	0.0031	0.0228	0.0497
Echinococcus granulosus	epidermal growth factor receptor	0.0082	0.0877	0.1928
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0049	0.0454	0.0997
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0298	0.0656
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.0067	0.8411
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0018	0.0067	0.833
Schistosoma mansoni	hypothetical protein	0.0016	0.003	0.0012
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0067	0.3476
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.002	0.004
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.021	0.0145
Entamoeba histolytica	hypothetical protein	0.0025	0.0154	1
Echinococcus multilocularis	zinc finger protein	0.0022	0.0107	0.0236
Onchocerca volvulus	Alhambra homolog	0.003	0.021	0.0021
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.0109	0.664
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0205	0.0447
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0076	0.4173
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0182	0.2156	0.4736
Loa Loa (eye worm)	DOMON domain-containing protein	0.0071	0.0735	0.1613
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.021	0.0462
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0061	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1856	0.4078
Brugia malayi	PHD-finger family protein	0.003	0.021	0.0459
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0067	0.3476
Brugia malayi	PHD-finger family protein	0.0027	0.0176	0.0385
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0053	0.0117
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0583	0.052
Echinococcus granulosus	insulin receptor	0.0049	0.0454	0.0997
Schistosoma mansoni	zinc finger protein	0.0016	0.003	0.0012
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.0628	0.1381
Toxoplasma gondii	FATC domain-containing protein	0.0025	0.0154	0.0088
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0187	0.2226	0.4891
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0067	0.3476
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0076	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0067	0.0143
Echinococcus multilocularis	cpg binding protein	0.0033	0.0251	0.0551
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0067	0.3476
Brugia malayi	DOMON domain containing protein	0.0071	0.0735	0.1613
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.029	0.0637
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0369	0.455	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0251	0.0264
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.002	0.004
Echinococcus granulosus	serine protein kinase ATM	0.0025	0.0154	0.0339
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0228	0.0162
Trypanosoma brucei	ISWI complex protein	0.0016	0.003	0.0785
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0025	0.0154	0.0154
Brugia malayi	cytochrome P450	0.0015	0.002	0.004
Giardia lamblia	PHD finger protein 15	0.003	0.021	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0336	0.0362
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0359	0.0788
Schistosoma mansoni	tyrosine kinase	0.0081	0.0866	0.0968
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0146	0.032
Echinococcus multilocularis	epidermal growth factor receptor	0.0152	0.1778	0.3907
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0298	0.0656
Loa Loa (eye worm)	hypothetical protein	0.0369	0.455	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0637	0.0706
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0025	0.0154	0.0336
Brugia malayi	Pre-SET motif family protein	0.0212	0.2543	0.5587
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0613	0.1345
Schistosoma mansoni	tyrosine kinase	0.0081	0.0866	0.0968
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0336	0.0362
Brugia malayi	jmjC domain containing protein	0.0039	0.0336	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0407	0.0891

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.0036 uM	Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats	ChEMBL.	No reference
Ki (binding)	= 0.0036 uM	Ability to displace [3H]-spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats	ChEMBL.	No reference
Ki (binding)	= 0.019 uM	Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor	ChEMBL.	No reference
Ki (binding)	= 0.019 uM	Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor	ChEMBL.	No reference
Ki (binding)	= 2.1 uM	Ability to displace [3H]-ketanserin from serotonergic 5-hydroxytryptamine 2 receptor	ChEMBL.	No reference
Ki (binding)	= 2.1 uM	Ability to displace [3H]-ketanserin from serotonergic 5-hydroxytryptamine 2 receptor	ChEMBL.	No reference

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

ChEMBL: CHEMBL21971
PubChem: 18649736

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 26481