TDR Targets

Basic information

Technical information

TDR Targets ID: 164027
Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-p rop-2-enylbenzimidazole-1-carboxamide
MW: 343.423 | Formula: C18H25N5O2
H donors: 1 H acceptors: 2 LogP: 1.58 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(=O)n(c2c1cccc2)C(=O)NCCN1CCN(CC1)C
InChi: 1S/C18H25N5O2/c1-3-9-22-15-6-4-5-7-16(15)23(18(22)25)17(24)19-8-10-21-13-11-20(2)12-14-21/h3-7H,1,8-14H2,2H3,(H,19,24)
InChiKey: RPAYLRHXLKUSOT-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

3-allyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-benzimidazole-1-carboxamide
3-allyl-N-[2-(4-methyl-1-piperazinyl)ethyl]-2-oxo-1-benzimidazolecarboxamide
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-prop-2-enyl-benzimidazole-1-carboxamide
3-allyl-2-keto-N-[2-(4-methylpiperazino)ethyl]benzimidazole-1-carboxamide
3-allyl-2-keto-N-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 3 (5-HT3) receptor	Starlite/ChEMBL	References
Cavia porcellus	Serotonin 4 (5-HT4) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Get druggable targets OG5_133042	All targets in OG5_133042

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	465 aa	27.3 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	Serotonin 3 (5-HT3) receptor	483 aa	388 aa	21.9 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Serotonin 4 (5-HT4) receptor	388 aa	385 aa	31.9 %
Echinococcus granulosus	allatostatin A receptor	Serotonin 4 (5-HT4) receptor	388 aa	359 aa	25.3 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Serotonin 4 (5-HT4) receptor	388 aa	352 aa	28.4 %
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	26.9 %
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	Serotonin 3 (5-HT3) receptor	483 aa	387 aa	25.6 %
Echinococcus multilocularis	neuropeptide receptor	Serotonin 4 (5-HT4) receptor	388 aa	325 aa	24.0 %
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	Serotonin 3 (5-HT3) receptor	483 aa	478 aa	25.1 %
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	Serotonin 3 (5-HT3) receptor	483 aa	445 aa	25.4 %
Onchocerca volvulus		Serotonin 4 (5-HT4) receptor	388 aa	367 aa	30.8 %
Echinococcus granulosus	somatostatin receptor	Serotonin 4 (5-HT4) receptor	388 aa	375 aa	21.6 %
Brugia malayi	follicle stimulating hormone receptor	Serotonin 4 (5-HT4) receptor	388 aa	319 aa	24.5 %
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	Serotonin 3 (5-HT3) receptor	483 aa	514 aa	23.2 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Serotonin 4 (5-HT4) receptor	388 aa	346 aa	21.1 %
Onchocerca volvulus		Serotonin 4 (5-HT4) receptor	388 aa	357 aa	22.1 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Serotonin 4 (5-HT4) receptor	388 aa	332 aa	23.5 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type des-2 homolog	Serotonin 3 (5-HT3) receptor	483 aa	464 aa	24.8 %
Echinococcus multilocularis	allatostatin A receptor	Serotonin 4 (5-HT4) receptor	388 aa	327 aa	26.3 %
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	484 aa	26.0 %
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	470 aa	26.8 %
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-3 precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	505 aa	21.2 %
Echinococcus granulosus	neuropeptide receptor	Serotonin 4 (5-HT4) receptor	388 aa	325 aa	24.3 %
Schistosoma japonicum	FMRFamide receptor, putative	Serotonin 4 (5-HT4) receptor	388 aa	351 aa	19.9 %
Onchocerca volvulus	39S ribosomal protein L13, mitochondrial homolog	Serotonin 3 (5-HT3) receptor	483 aa	490 aa	31.0 %
Echinococcus granulosus	dro:myosuppressin receptor	Serotonin 4 (5-HT4) receptor	388 aa	360 aa	21.7 %
Onchocerca volvulus		Serotonin 4 (5-HT4) receptor	388 aa	315 aa	19.7 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	26.7 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Serotonin 4 (5-HT4) receptor	388 aa	326 aa	27.3 %
Echinococcus multilocularis	dro:myosuppressin receptor	Serotonin 4 (5-HT4) receptor	388 aa	360 aa	21.7 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 4 (5-HT4) receptor	388 aa	363 aa	35.3 %
Brugia malayi	Cation transporter family protein	Serotonin 3 (5-HT3) receptor	483 aa	507 aa	28.2 %
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	Serotonin 3 (5-HT3) receptor	483 aa	445 aa	25.6 %
Brugia malayi	GnHR receptor homolog	Serotonin 4 (5-HT4) receptor	388 aa	358 aa	20.7 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	461 aa	24.3 %
Onchocerca volvulus	Phospholipase d-related homolog	Serotonin 4 (5-HT4) receptor	388 aa	404 aa	17.6 %
Echinococcus multilocularis	nAChR subunit	Serotonin 3 (5-HT3) receptor	483 aa	495 aa	24.2 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	477 aa	26.6 %
Onchocerca volvulus		Serotonin 4 (5-HT4) receptor	388 aa	321 aa	24.0 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 4 (5-HT4) receptor	388 aa	395 aa	29.6 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	452 aa	29.2 %
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	482 aa	23.9 %
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	463 aa	26.8 %
Schistosoma japonicum	ko:K04255 opsin 4 (melanopsin), putative	Serotonin 4 (5-HT4) receptor	388 aa	374 aa	18.7 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	489 aa	31.3 %
Onchocerca volvulus		Serotonin 4 (5-HT4) receptor	388 aa	361 aa	24.1 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	482 aa	25.1 %
Onchocerca volvulus		Serotonin 3 (5-HT3) receptor	483 aa	473 aa	27.5 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Serotonin 4 (5-HT4) receptor	388 aa	346 aa	20.8 %
Onchocerca volvulus	Acetylcholine receptor subunit alpha-type homolog	Serotonin 3 (5-HT3) receptor	483 aa	465 aa	27.3 %
Onchocerca volvulus	Large subunit GTPase 1 homolog	Serotonin 3 (5-HT3) receptor	483 aa	394 aa	19.3 %
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-9-II precursor, putative	Serotonin 3 (5-HT3) receptor	483 aa	457 aa	24.7 %
Loa Loa (eye worm)	follicle stimulating hormone receptor	Serotonin 4 (5-HT4) receptor	388 aa	345 aa	23.5 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 4 (5-HT4) receptor	388 aa	418 aa	22.5 %
Drosophila melanogaster	nicotinic Acetylcholine Receptor alpha2	Serotonin 3 (5-HT3) receptor	483 aa	541 aa	25.5 %
Brugia malayi	Serotonin/octopamine receptor family protein 7	Serotonin 4 (5-HT4) receptor	388 aa	395 aa	29.4 %
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	Serotonin 3 (5-HT3) receptor	483 aa	470 aa	27.7 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 4 (5-HT4) receptor	388 aa	418 aa	22.7 %
Onchocerca volvulus	Putative zinc finger protein	Serotonin 3 (5-HT3) receptor	483 aa	489 aa	25.8 %
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	Serotonin 3 (5-HT3) receptor	483 aa	503 aa	22.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase, putative	0.0089	0.7348	1
Onchocerca volvulus		0.0089	0.7348	0.7348
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0089	0.7348	1
Toxoplasma gondii	cathepsin CPL	0.0089	0.7348	0.5
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0089	0.7348	0.7348
Brugia malayi	Papain family cysteine protease containing protein	0.0089	0.7348	0.7348
Brugia malayi	Cathepsin L-like precursor	0.0089	0.7348	0.7348
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0113	1	1
Echinococcus multilocularis	cysteine protease	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0089	0.7348	0.7348
Trypanosoma cruzi	cysteine proteinase, putative	0.0046	0.2432	0.2757
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Brugia malayi	Cathepsin L-like precursor	0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Echinococcus granulosus	cathepsin l1	0.006	0.3996	0.5439
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0046	0.2432	0.2757
Loa Loa (eye worm)	hypothetical protein	0.006	0.3996	0.3996
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0562	0.0562
Onchocerca volvulus		0.006	0.3996	0.3996
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Onchocerca volvulus		0.0089	0.7348	0.7348
Trypanosoma cruzi	cysteine protease, putative	0.0046	0.2432	0.2757
Echinococcus multilocularis	cathepsin L cysteine protease	0.0089	0.7348	1
Brugia malayi	Cathepsin L-like precursor	0.0089	0.7348	0.7348
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.3996	0.3996
Loa Loa (eye worm)	ctsf protein	0.0089	0.7348	0.7348
Loa Loa (eye worm)	cysteine protease	0.0089	0.7348	0.7348
Loa Loa (eye worm)	hypothetical protein	0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0089	0.7348	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0089	0.7348	1
Loa Loa (eye worm)	hypothetical protein	0.0113	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0562	0.0562
Onchocerca volvulus		0.0088	0.7211	0.7211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Plasmodium vivax	vivapain-2	0.0089	0.7348	1
Entamoeba histolytica	cysteine protease, putative	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0089	0.7348	0.7348
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.2432	0.2432
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.006	0.3996	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Plasmodium vivax	unspecified product	0.0046	0.2432	0.2757
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0089	0.7348	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.003	0.0562	0.0562
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0089	0.7348	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0089	0.7348	1
Onchocerca volvulus		0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0089	0.7348	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0089	0.7348	1
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Brugia malayi	Cathepsin L-like precursor	0.006	0.3996	0.3996
Echinococcus multilocularis	cathepsin L	0.0046	0.2432	0.3311
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0089	0.7348	1
Schistosoma mansoni	cathepsin F (C01 family)	0.006	0.3996	0.3996
Echinococcus granulosus	cysteine protease	0.0046	0.2432	0.3311
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.003	0.0562	0.0562
Brugia malayi	cathepsin F-like cysteine proteinase	0.003	0.0562	0.0562
Loa Loa (eye worm)	hypothetical protein	0.003	0.0562	0.0562
Brugia malayi	Cathepsin L-like precursor	0.0089	0.7348	0.7348
Leishmania major	cysteine peptidase A (CPA)	0.0089	0.7348	0.5
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Onchocerca volvulus		0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Brugia malayi	Cathepsin L-like precursor	0.003	0.0562	0.0562
Brugia malayi	Cathepsin L-like precursor	0.006	0.3996	0.3996
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.2432	0.2432
Echinococcus granulosus	cathepsin l1	0.0089	0.7348	1
Schistosoma mansoni	cathepsin s	0.003	0.0562	0.0562
Echinococcus granulosus	cathepsin L	0.0046	0.2432	0.3311
Loa Loa (eye worm)	hypothetical protein	0.006	0.3996	0.3996
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.006	0.3996	0.3182
Mycobacterium ulcerans	hypothetical protein	0.0025	0	0.5
Onchocerca volvulus		0.0113	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0046	0.2432	0.3311
Trypanosoma cruzi	cysteine proteinase, putative	0.0046	0.2432	0.2757
Onchocerca volvulus		0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Entamoeba histolytica	cysteine proteinase, putative	0.0089	0.7348	1
Entamoeba histolytica	cysteine proteinase, putative	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.3996	0.5061
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Brugia malayi	Cathepsin L-like precursor	0.0089	0.7348	0.7348
Schistosoma mansoni	cathepsin F (C01 family)	0.0089	0.7348	0.7348
Brugia malayi	cathepsin L-like precursor	0.006	0.3996	0.3996
Plasmodium vivax	vivapain-2	0.0089	0.7348	1
Brugia malayi	Cathepsin L-like precursor	0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.006	0.3996	0.3996
Echinococcus multilocularis	cysteine protease	0.0089	0.7348	1
Onchocerca volvulus		0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0089	0.7348	1
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.2432	0.2432
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0113	1	1
Onchocerca volvulus		0.0089	0.7348	0.7348
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Leishmania major	cathepsin L-like protease	0.0089	0.7348	0.5
Plasmodium vivax	vivapain-1	0.0046	0.2432	0.2757
Onchocerca volvulus	Cathepsin F homolog	0.0089	0.7348	0.7348
Plasmodium vivax	vivapain-3	0.0046	0.2432	0.2757
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.2432	0.2432
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.2432	0.2432
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0089	0.7348	1
Onchocerca volvulus	Cathepsin L homolog	0.0089	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0089	0.7348	1
Loa Loa (eye worm)	fibroinase	0.0089	0.7348	0.7348
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0089	0.7348	1
Entamoeba histolytica	cysteine proteinase, putative	0.006	0.3996	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0113	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.2432	0.2757
Trypanosoma cruzi	cruzipain precursor, putative	0.0089	0.7348	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0089	0.7348	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 1000 nM	Displacement of [3H]-GR-113,808 from 5-hydroxytryptamine 4 receptor in guinea pig striatum	ChEMBL.	10425096
IC50 (binding)	> 1000 nM	Inhibitory concentration against 5-hydroxytryptamine 3 receptor in rat enthorinal cortex using [3H]-LY 278584 as radioligand	ChEMBL.	10425096
IC50 (binding)	> 1000 nM	Displacement of [3H]-GR-113,808 from 5-hydroxytryptamine 4 receptor in guinea pig striatum	ChEMBL.	10425096
IC50 (binding)	> 1000 nM	Inhibitory concentration against 5-hydroxytryptamine 3 receptor in rat enthorinal cortex using [3H]-LY 278584 as radioligand	ChEMBL.	10425096
Intrinsic activity (functional)	= 0.63	Agonistic activity against 5-hydroxytryptamine 4 receptor	ChEMBL.	10425096
Intrinsic activity (functional)	= 0.63	Agonistic activity against 5-hydroxytryptamine 4 receptor	ChEMBL.	10425096
pKb (functional)	< 6	AntAgonistic activity against 5-hydroxytryptamine 4 receptor	ChEMBL.	10425096
pKb (functional)	< 6	AntAgonistic activity against 5-hydroxytryptamine 4 receptor	ChEMBL.	10425096

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: CHEMBL99383
PubChem: 10545330

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 164027