TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.455 | Formula: C22H26N2O
H donors: 0 H acceptors: 1 LogP: 4.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCN(CC1)CCCOc1ccc(cc1)c1ccc(cc1)C#N
InChi: 1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
InChiKey: GMFZCHLJVCOHAA-UHFFFAOYSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Histamine H3 receptor	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H3	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H1	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	biogenic amine 5HT receptor	Histamine H3 receptor	445 aa	405 aa	25.2 %
Brugia malayi	hypothetical protein	histamine receptor H2	397 aa	333 aa	23.1 %
Loa Loa (eye worm)	hypothetical protein	Histamine H3 receptor	445 aa	384 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0883	0.2842	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0417	0.125	0.4393
Plasmodium falciparum	glutathione reductase	0.0147	0.033	1
Onchocerca volvulus		0.0417	0.125	0.4334
Brugia malayi	WH1 domain containing protein	0.0136	0.0292	0.1022
Echinococcus granulosus	lysine specific demethylase 5A	0.0072	0.0074	0.0262
Brugia malayi	nuclear hormone receptor	0.0883	0.2842	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0115	0.0222	0.078
Giardia lamblia	PHD finger protein 15	0.006	0.0032	0.0475
Echinococcus granulosus	epidermal growth factor receptor	0.0115	0.0222	0.078
Loa Loa (eye worm)	nuclear hormone receptor	0.0417	0.125	0.4334
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0883	0.2842	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0883	0.2842	0.4664
Loa Loa (eye worm)	jmjC domain-containing protein	0.0123	0.0249	0.0772
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0883	0.2842	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.006	0.0032	0.0111
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0081	0.0104	0.0365
Brugia malayi	steroid hormone receptor	0.0883	0.2842	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0417	0.125	0.4393
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0417	0.125	0.4334
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.0235	0.0628	0.221
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0336	0.0974	0.0974
Schistosoma mansoni	tyrosine kinase	0.0254	0.0694	0.1136
Trypanosoma cruzi	STE/STE20 serine/threonine-protein kinase, putative	0.0098	0.0164	0.0271
Echinococcus granulosus	insulin receptor	0.0254	0.0694	0.2441
Brugia malayi	nuclear receptor RXR	0.0467	0.142	0.4994
Echinococcus multilocularis	insulin receptor	0.0254	0.0694	0.2441
Onchocerca volvulus		0.0883	0.2842	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0256	0.0701	0.246
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.0091	0.2705
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.1835	0.6092	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0256	0.0701	0.246
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0883	0.2842	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0373	0.1102	0.1102
Entamoeba histolytica	protein kinase, putative	0.014	0.0307	0.4078
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0373	0.1102	0.1102
Trichomonas vaginalis	STE family protein kinase	0.0235	0.0628	1
Echinococcus multilocularis	FTZ F1 alpha	0.0883	0.2842	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0883	0.2842	1
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.1177	0.3847	0.3846
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0883	0.2842	1
Brugia malayi	Probable ClpP-like protease	0.0077	0.0091	0.0313
Entamoeba histolytica	protein kinase, putative	0.0235	0.0628	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.0091	0.0319
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.1803	0.5981	1
Schistosoma mansoni	protein kinase	0.014	0.0307	0.0501
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0883	0.2842	1
Brugia malayi	conserved hypotetical protein	0.0417	0.125	0.4393
Schistosoma mansoni	protein kinase	0.0235	0.0628	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0196	0.0495	0.1743
Brugia malayi	Nuclear hormone receptor-like 1	0.0467	0.142	0.4994
Loa Loa (eye worm)	hypothetical protein	0.0467	0.142	0.4941
Onchocerca volvulus		0.0417	0.125	0.4334
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0091	0.0089
Schistosoma mansoni	tyrosine kinase	0.0113	0.0215	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0373	0.1102	0.1102
Trypanosoma cruzi	cysteine peptidase, putative	0.0124	0.0251	0.0417
Schistosoma mansoni	nuclear receptor	0.0417	0.125	0.2049
Schistosoma mansoni	nuclear hormone receptor	0.0417	0.125	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0883	0.2842	1
Brugia malayi	p21/Cdc42/Rac1-activated kinase	0.0098	0.0164	0.057
Trichomonas vaginalis	STE family protein kinase	0.0235	0.0628	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0883	0.2842	1
Schistosoma mansoni	protein kinase	0.0136	0.0292	0.0477
Toxoplasma gondii	thioredoxin reductase	0.0147	0.033	1
Schistosoma mansoni	tyrosine kinase	0.0113	0.0215	0.0349
Echinococcus multilocularis	lysine specific demethylase 5A	0.0072	0.0074	0.0262
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0417	0.125	0.2049
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0081	0.0104	0.0359
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0235	0.0628	0.221
Schistosoma mansoni	serine/threonine protein kinase	0.0098	0.0164	0.0266
Brugia malayi	Nuclear hormone receptor E75	0.0417	0.125	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Loa Loa (eye worm)	STE/STE20/PAKA protein kinase	0.0098	0.0164	0.047
Echinococcus granulosus	PAK box P21 Rho binding	0.0136	0.0292	0.1028
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0091	0.2705
Entamoeba histolytica	hypothetical protein	0.0136	0.0292	0.3802
Echinococcus granulosus	nuclear receptor nhr 48	0.0417	0.125	0.4397
Brugia malayi	MH2 domain containing protein	0.0128	0.0265	0.0927
Mycobacterium ulcerans	serine/threonine-protein kinase B PknB	0.298	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0196	0.0495	0.1743
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0883	0.2842	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0091	0.2705
Entamoeba histolytica	hypothetical protein	0.0136	0.0292	0.3802
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0081	0.0104	0.0365
Echinococcus multilocularis	PAK box P21 Rho binding	0.014	0.0307	0.108
Trypanosoma cruzi	cruzipain precursor, putative	0.0124	0.0251	0.0417
Loa Loa (eye worm)	TK/INSR protein kinase	0.0254	0.0694	0.2356
Schistosoma mansoni	protein kinase	0.0235	0.0628	0.1028
Leishmania major	cathepsin L-like protease	0.0124	0.0251	0.7593
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0883	0.2842	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0417	0.125	0.4397
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0883	0.2842	1
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0254	0.0694	0.2441
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0417	0.125	0.4397
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Loa Loa (eye worm)	hypothetical protein	0.0256	0.0701	0.238
Echinococcus multilocularis	GPCR, family 2	0.0081	0.0104	0.0365
Brugia malayi	nuclear hormone receptor	0.0417	0.125	0.4393
Loa Loa (eye worm)	STE/STE20/PAKA protein kinase	0.0098	0.0164	0.047
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0883	0.2842	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0883	0.2842	1
Plasmodium falciparum	phd finger protein, putative	0.006	0.0032	0.0905
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0336	0.0974	0.0974
Brugia malayi	Furin-like cysteine rich region family protein	0.0115	0.0222	0.0774
Schistosoma mansoni	thyroid hormone receptor	0.0883	0.2842	0.4664
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.006	0.0032	0.0049
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0883	0.2842	0.4664
Echinococcus granulosus	thioredoxin glutathione reductase	0.0147	0.033	0.1162
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Toxoplasma gondii	PHD-finger domain-containing protein	0.006	0.0032	0.0905
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0417	0.125	0.4334
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0883	0.2842	0.4664
Trypanosoma cruzi	trypanothione reductase, putative	0.0147	0.033	0.0549
Brugia malayi	photoreceptor-specific nuclear receptor	0.0883	0.2842	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.0074	0.0119
Schistosoma mansoni	hypothetical protein	0.0136	0.0292	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0883	0.2842	0.4664
Plasmodium vivax	thioredoxin reductase, putative	0.0147	0.033	1
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0235	0.0628	0.221
Onchocerca volvulus	Protein ultraspiracle homolog	0.0883	0.2842	1
Treponema pallidum	penicillin-binding protein (pbp-3)	0.1177	0.3847	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0883	0.2842	1
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.1803	0.5981	1
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0086	0.0138
Schistosoma mansoni	jumonji domain containing protein	0.0155	0.0358	0.0585
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0883	0.2842	0.4664
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0336	0.0974	0.0974
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0177	0.0518
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0417	0.125	0.4397
Echinococcus multilocularis	PAK box P21 Rho binding	0.0136	0.0292	0.1028
Trichomonas vaginalis	STE family protein kinase	0.0235	0.0628	1
Brugia malayi	Steroid receptor seven-up type 2	0.0883	0.2842	1
Loa Loa (eye worm)	hypothetical protein	0.0467	0.142	0.4941
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0417	0.125	0.4334
Mycobacterium tuberculosis	Probable reductase	0.0336	0.0974	0.0974
Plasmodium vivax	glutathione reductase, putative	0.0147	0.033	1
Loa Loa (eye worm)	hypothetical protein	0.0467	0.142	0.4941
Schistosoma mansoni	tyrosine kinase	0.0115	0.0222	0.0361
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0254	0.0694	0.2441
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0417	0.125	0.4334
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0883	0.2842	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0336	0.0974	0.0974
Schistosoma mansoni	tyrosine kinase	0.0115	0.0222	0.0361
Trypanosoma cruzi	cysteine peptidase, putative	0.0124	0.0251	0.0417
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0091	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0883	0.2842	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0256	0.0701	0.238
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0883	0.2842	1
Brugia malayi	ecdysone receptor	0.0417	0.125	0.4393
Schistosoma mansoni	hypothetical protein	0.0136	0.0292	0.0477
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0467	0.142	0.2329
Echinococcus granulosus	serine:threonine protein kinase PAK 1	0.0094	0.0149	0.0523
Loa Loa (eye worm)	steroid hormone receptor	0.0883	0.2842	1
Brugia malayi	Thioredoxin reductase	0.0147	0.033	0.1156
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0086	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0467	0.142	0.4941
Brugia malayi	serine/threonine-protein kinase PAK 7	0.0868	0.2791	0.9819
Trichomonas vaginalis	conserved hypothetical protein	0.023	0.0613	0.9761
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Leishmania major	cathepsin L-like protease	0.0124	0.0251	0.7593
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.0868	0.2791	0.9818
Loa Loa (eye worm)	hypothetical protein	0.0467	0.142	0.4941
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Schistosoma mansoni	coup transcription factor	0.0883	0.2842	0.4664
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0883	0.2842	1
Loa Loa (eye worm)	thioredoxin reductase	0.0147	0.033	0.1063
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.1803	0.5981	1
Brugia malayi	P21-Rho-binding domain containing protein	0.0136	0.0292	0.1022
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0104	0.0257
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0467	0.142	0.4941
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.0091	0.0146
Brugia malayi	nuclear receptor NHR-67	0.0417	0.125	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0113	0.0214	0.0356
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0091	0.0089
Schistosoma mansoni	RAR-like nuclear receptor	0.0883	0.2842	0.4664
Leishmania major	cathepsin L-like protease	0.0124	0.0251	0.7593
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.1803	0.5981	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0883	0.2842	1
Loa Loa (eye worm)	hypothetical protein	0.023	0.0613	0.2069
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0373	0.1102	0.1102
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.1177	0.3847	0.3847
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0883	0.2842	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0424	0.1398
Echinococcus granulosus	GPCR family 2	0.0081	0.0104	0.0365
Echinococcus granulosus	peregrin	0.006	0.0032	0.0111
Leishmania major	trypanothione reductase	0.0147	0.033	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0883	0.2842	0.4664
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Echinococcus multilocularis	nuclear receptor nhr 48	0.0417	0.125	0.4397
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0883	0.2842	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0115	0.0222	0.078
Brugia malayi	nuclear receptor NHR-88	0.0883	0.2842	1
Schistosoma mansoni	tyrosine kinase	0.0115	0.0222	0.0361
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0336	0.0974	0.0974
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0417	0.125	0.4397
Schistosoma mansoni	nuclear hormone receptor	0.0883	0.2842	0.4664
Brugia malayi	hypothetical protein	0.0417	0.125	0.4393
Echinococcus granulosus	jumonji domain containing protein	0.0083	0.0111	0.0392
Echinococcus multilocularis	neural Wiskott Aldrich syndrome protein	0.0136	0.0292	0.1028
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0883	0.2842	1
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0235	0.0628	0.221
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Brugia malayi	P21-Rho-binding domain containing protein	0.0136	0.0292	0.1022
Schistosoma mansoni	zinc finger protein	0.0417	0.125	0.2049
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0091	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0051	0.0002	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Brugia malayi	Bromodomain containing protein	0.006	0.0032	0.0105
Schistosoma mansoni	hypothetical protein	0.0081	0.0104	0.0168
Echinococcus multilocularis	serine:threonine protein kinase PAK 4	0.0732	0.2327	0.8186
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.0265	0.0831
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0051	0.0002	0.0002
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0147	0.033	0.033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0883	0.2842	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Brugia malayi	PHD-finger family protein	0.006	0.0032	0.0105
Mycobacterium tuberculosis	Probable dehydrogenase	0.0336	0.0974	0.0974
Trypanosoma cruzi	cysteine peptidase, putative	0.0124	0.0251	0.0417
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0051	0.0002	0.0006
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.0235	0.0628	0.221
Brugia malayi	Protein kinase domain	0.0235	0.0628	0.2205
Brugia malayi	Nuclear hormone receptor-like 1	0.0883	0.2842	1
Entamoeba histolytica	protein kinase, putative	0.014	0.0307	0.4078
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0091	0.0231
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0417	0.125	0.4397
Brugia malayi	Protein kinase domain containing protein	0.0254	0.0694	0.2436
Echinococcus granulosus	FTZ F1 alpha	0.0883	0.2842	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0091	0.2705
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0883	0.2842	1
Schistosoma mansoni	tyrosine kinase	0.0138	0.0299	0.0488
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0417	0.125	0.4397
Brugia malayi	hypothetical protein	0.0076	0.0086	0.0296
Schistosoma mansoni	nuclear receptor	0.0417	0.125	0.2049
Schistosoma mansoni	nuclear receptor nhr-48	0.0417	0.125	0.2049
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0081	0.0104	0.0365
Schistosoma mansoni	serine/threonine protein kinase	0.0138	0.0299	0.0488
Echinococcus granulosus	PHD finger protein rhinoceros	0.006	0.0032	0.0111
Echinococcus granulosus	ecdysone induced protein 78C	0.0883	0.2842	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0072	0.0074	0.0119
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0081	0.0104	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0467	0.142	0.4997
Brugia malayi	hypothetical protein	0.0467	0.142	0.4994
Schistosoma mansoni	wiskott-aldrich syndrome protein	0.0136	0.0292	0.0477
Trypanosoma cruzi	p21-activated kinase 3, putative	0.0098	0.0164	0.0271
Schistosoma mansoni	hypothetical protein	0.0081	0.0104	0.0168
Brugia malayi	jmjC domain containing protein	0.0072	0.0074	0.0256
Toxoplasma gondii	PHD-finger domain-containing protein	0.006	0.0032	0.0905
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0091	0.021
Loa Loa (eye worm)	P21-Rho-binding domain-containing protein	0.0136	0.0292	0.0927
Trichomonas vaginalis	STE family protein kinase	0.0235	0.0628	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0417	0.125	0.4393
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0417	0.125	0.4397
Brugia malayi	nuclear receptor RXR	0.0417	0.125	0.4393
Echinococcus granulosus	3'partial\|serine:threonine protein kinase PAK 2	0.0136	0.0292	0.1028
Brugia malayi	nuclear receptor NHR-88	0.0417	0.125	0.4393
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0147	0.033	0.1162
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0883	0.2842	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0072	0.0074	0.0153
Echinococcus multilocularis	peregrin	0.006	0.0032	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0138	0.03	0.0954
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0883	0.2842	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Echinococcus multilocularis	epidermal growth factor receptor	0.0115	0.0222	0.078
Brugia malayi	hypothetical protein	0.0417	0.125	0.4393
Brugia malayi	Protein kinase domain containing protein	0.014	0.0307	0.1074
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0086	0.0302
Plasmodium falciparum	thioredoxin reductase	0.0147	0.033	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0081	0.0104	0.0365
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0883	0.2842	1
Schistosoma mansoni	serine/threonine protein kinase	0.0098	0.0164	0.0266
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0417	0.125	0.4397
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Schistosoma mansoni	amine GPCR	0.0214	0.0558	0.0913
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0883	0.2842	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0417	0.125	0.4393
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0883	0.2842	1
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.0091	0.0091
Echinococcus multilocularis	jumonji domain containing protein	0.0083	0.0111	0.0392
Schistosoma mansoni	hypothetical protein	0.0081	0.0104	0.0168
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0883	0.2842	1
Mycobacterium tuberculosis	Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B)	0.298	1	1
Brugia malayi	glutathione reductase	0.0147	0.033	0.1156
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0467	0.142	0.2329
Schistosoma mansoni	hypothetical protein	0.0175	0.0424	0.0694
Schistosoma mansoni	retinoic acid receptor RXR	0.0883	0.2842	0.4664
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0883	0.2842	1
Entamoeba histolytica	p21-activated kinase	0.0235	0.0628	1
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Brugia malayi	latrophilin 2 splice variant baaae	0.0175	0.0424	0.1488
Schistosoma mansoni	hypothetical protein	0.0136	0.0292	0.0477
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0883	0.2842	1
Brugia malayi	Latrophilin receptor protein 2	0.0081	0.0104	0.0359
Schistosoma mansoni	hypothetical protein	0.006	0.0032	0.0049
Echinococcus multilocularis	ecdysone induced protein 78C	0.0883	0.2842	1
Schistosoma mansoni	nuclear hormone receptor	0.0417	0.125	0.2049
Trypanosoma brucei	trypanothione reductase	0.0147	0.033	1
Loa Loa (eye worm)	DR-78	0.0417	0.125	0.4334
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0091	1
Brugia malayi	hypothetical protein	0.0467	0.142	0.4994
Loa Loa (eye worm)	glutathione reductase	0.0147	0.033	0.1063
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0417	0.125	0.4397
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.0265	0.0831
Echinococcus granulosus	epidermal growth factor receptor	0.0115	0.0222	0.078
Echinococcus granulosus	serine:threonine protein kinase PAK 4	0.0732	0.2327	0.8186
Brugia malayi	Nuclear hormone receptor E75	0.0417	0.125	0.4393
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0883	0.2842	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0098	0.016	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2842	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0883	0.2842	1
Schistosoma mansoni	tyrosine kinase	0.0254	0.0694	0.1136
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0467	0.142	0.4997
Onchocerca volvulus	Bile acid receptor homolog	0.0883	0.2842	1
Brugia malayi	ecdysteroid receptor	0.0883	0.2842	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0883	0.2842	0.4664
Trichomonas vaginalis	STE family protein kinase	0.014	0.0307	0.4874
Echinococcus granulosus	neural Wiskott Aldrich syndrome protein	0.0136	0.0292	0.1028
Entamoeba histolytica	protein kinase, putative	0.014	0.0307	0.4078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124	0.0251	0.7593
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0115	0.0222	0.0676
Treponema pallidum	hypothetical protein	0.1177	0.3847	1
Schistosoma mansoni	thyroid hormone receptor	0.0883	0.2842	0.4664
Brugia malayi	Nuclear hormone receptor-like 1	0.0467	0.142	0.4994
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.1177	0.3847	0.3847
Plasmodium vivax	hypothetical protein, conserved	0.006	0.0032	0.0905
Brugia malayi	tailless protein	0.0417	0.125	0.4393
Loa Loa (eye worm)	hypothetical protein	0.0417	0.125	0.4334
Schistosoma mansoni	hypothetical protein	0.0076	0.0086	0.0138
Brugia malayi	jmjC domain containing protein	0.0196	0.0495	0.1738
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.0091	0.0319
Schistosoma mansoni	hypothetical protein	0.0081	0.0104	0.0168
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0235	0.0628	0.221
Trichomonas vaginalis	mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative	0.0098	0.0164	0.2585
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0417	0.125	0.4397
Giardia lamblia	Kinase, STE STE20	0.0235	0.0628	1
Schistosoma mansoni	tyrosine kinase	0.0113	0.0215	0.0349

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -8.01	Binding affinity at rat cortical Histamine H3 receptor	ChEMBL.	12372505
Ki (binding)	= -7.86	Binding affinity at human cloned Histamine H3 receptor	ChEMBL.	12372505
Ki (binding)	= -6.37	Binding affinity of human cortical histamine H1 receptor	ChEMBL.	12372505
Ki (binding)	= -5.04	Binding affinity to the human cortical histamine H2 receptor	ChEMBL.	12372505
Log Ki (binding)	= 5.04	Binding affinity to the human cortical histamine H2 receptor	ChEMBL.	12372505
Log Ki (binding)	= 6.37	Binding affinity of human cortical histamine H1 receptor	ChEMBL.	12372505
Log Ki (binding)	= 7.86	Binding affinity at human cloned Histamine H3 receptor	ChEMBL.	12372505
Log Ki (binding)	= 8.01	Binding affinity at rat cortical Histamine H3 receptor	ChEMBL.	12372505

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: CHEMBL323562

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 173485