TDR Targets

Basic information

Technical information

TDR Targets ID: 154398
Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl ]-3-methoxybenzamide
MW: 387.903 | Formula: C21H26ClN3O2
H donors: 1 H acceptors: 1 LogP: 3.79 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)C(=O)NCCCN1CCN(CC1)c1ccc(cc1)Cl
InChi: 1S/C21H26ClN3O2/c1-27-20-5-2-4-17(16-20)21(26)23-10-3-11-24-12-14-25(15-13-24)19-8-6-18(22)7-9-19/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)
InChiKey: AECUHGGFVKDBMH-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

N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxy-benzamide
N-[3-[4-(4-chlorophenyl)-1-piperazinyl]propyl]-3-methoxybenzamide
N-[3-[4-(4-chlorophenyl)piperazino]propyl]-3-methoxy-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine D3 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Adrenergic receptor alpha-1	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
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
Schistosoma mansoni	biogenic amine (5HT) receptor	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
Echinococcus multilocularis	serotonin 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
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	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
Onchocerca volvulus		Serotonin 1a (5-HT1a) receptor	422 aa	426 aa	29.6 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 1a (5-HT1a) receptor	422 aa	448 aa	29.7 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 1a (5-HT1a) receptor	422 aa	444 aa	29.3 %
Echinococcus multilocularis	biogenic amine (5HT) receptor	Dopamine D3 receptor	446 aa	499 aa	30.9 %
Schistosoma mansoni	biogenic amine receptor	Dopamine D3 receptor	446 aa	455 aa	28.6 %
Echinococcus granulosus	alpha 1A adrenergic receptor	Serotonin 1a (5-HT1a) receptor	422 aa	452 aa	21.0 %
Schistosoma japonicum	Octopamine receptor 1, putative	Serotonin 1a (5-HT1a) receptor	422 aa	424 aa	24.3 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D3 receptor	446 aa	501 aa	28.5 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Serotonin 1a (5-HT1a) receptor	422 aa	339 aa	23.0 %
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	Dopamine D3 receptor	446 aa	463 aa	25.5 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.4 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 1a (5-HT1a) receptor	422 aa	430 aa	20.0 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D3 receptor	446 aa	463 aa	29.8 %
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 %
Schistosoma mansoni	amine GPCR	Serotonin 1a (5-HT1a) receptor	422 aa	440 aa	31.6 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	433 aa	22.4 %
Loa Loa (eye worm)	TYRA-2 protein	Serotonin 1a (5-HT1a) receptor	422 aa	491 aa	27.3 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	24.3 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	392 aa	20.7 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Serotonin 1a (5-HT1a) receptor	422 aa	477 aa	24.3 %
Echinococcus granulosus	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.0 %
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Serotonin 1a (5-HT1a) receptor	422 aa	417 aa	21.1 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Serotonin 1a (5-HT1a) receptor	422 aa	410 aa	27.8 %
Echinococcus multilocularis	orexin receptor type 2	Serotonin 1a (5-HT1a) receptor	422 aa	369 aa	22.2 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	Serotonin 1a (5-HT1a) receptor	422 aa	383 aa	30.5 %
Echinococcus multilocularis	alpha 1A adrenergic receptor	Dopamine D3 receptor	446 aa	473 aa	21.6 %
Onchocerca volvulus		Dopamine D3 receptor	446 aa	462 aa	26.0 %
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 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 1a (5-HT1a) receptor	422 aa	432 aa	23.6 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 1a (5-HT1a) receptor	422 aa	388 aa	26.5 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D3 receptor	446 aa	478 aa	22.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	calpain 5	0.0141	0.0299	0.1181
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0222	0.0622	0.1346
Loa Loa (eye worm)	calpain 5	0.0099	0.0129	0.0073
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Loa Loa (eye worm)	ctsf protein	0.011	0.0174	0.012
Onchocerca volvulus		0.011	0.0174	0.1944
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0242	0.07	1
Echinococcus multilocularis	hypothetical protein	0.0141	0.0299	0.1181
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0395	0.1313	0.5196
Echinococcus multilocularis	serotonin receptor	0.0164	0.039	0.1544
Trypanosoma brucei	calpain-like protein, putative	0.0141	0.0299	0.4268
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0242	0.07	1
Schistosoma mansoni	calpain (C02 family)	0.0141	0.0299	0.0646
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.011	0.0174	0.3774
Brugia malayi	Cathepsin L-like precursor	0.011	0.0174	0.0174
Brugia malayi	Cathepsin L-like precursor	0.011	0.0174	0.0174
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Brugia malayi	prolyl oligopeptidase family protein	0.013	0.0254	0.0254
Echinococcus granulosus	biogenic amine 5HT receptor	0.0164	0.039	0.1544
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0395	0.1313	0.2841
Plasmodium vivax	vivapain-2	0.011	0.0174	0.3774
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0164	0.039	0.0844
Onchocerca volvulus		0.0233	0.0667	1
Brugia malayi	Papain family cysteine protease containing protein	0.011	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0233	0.0667	0.0615
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.013	0.0254	0.2189
Trypanosoma cruzi	kinesin, putative	0.0099	0.0129	0.0509
Loa Loa (eye worm)	hypothetical protein	0.011	0.0174	0.012
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.2978
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0116	0.0199	0.5
Echinococcus granulosus	calpain A	0.0141	0.0299	0.1181
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0081	0.0055	0.0055
Echinococcus granulosus	cathepsin l1	0.0081	0.0055	0.0219
Toxoplasma gondii	prolyl endopeptidase	0.013	0.0254	0.1508
Plasmodium falciparum	plasmepsin X	0.0182	0.0462	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0141	0.0299	0.1181
Echinococcus granulosus	prolyl endopeptidase	0.013	0.0254	0.1003
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Echinococcus multilocularis	calpain	0.0141	0.0299	0.1181
Toxoplasma gondii	cathepsin B	0.0242	0.07	1
Trypanosoma cruzi	prolyl endopeptidase	0.013	0.0254	0.1003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Echinococcus multilocularis	cathepsin L cysteine protease	0.011	0.0174	0.069
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0081	0.0055	0.0793
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Loa Loa (eye worm)	cathepsin B	0.0242	0.07	0.0648
Schistosoma mansoni	calpain-7 (C02 family)	0.0141	0.0299	0.0646
Echinococcus multilocularis	cysteine protease	0.011	0.0174	0.069
Loa Loa (eye worm)	hypothetical protein	0.0276	0.0837	0.0786
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Loa Loa (eye worm)	calpain family protein 1	0.0276	0.0837	0.0786
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0242	0.07	1
Brugia malayi	Cathepsin L-like precursor	0.0081	0.0055	0.0055
Onchocerca volvulus	Cathepsin F homolog	0.011	0.0174	0.1944
Echinococcus granulosus	calpain 7 C02 family	0.0141	0.0299	0.1181
Trypanosoma brucei	calpain-like protein, putative	0.0141	0.0299	0.4268
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0141	0.0299	0.1181
Plasmodium vivax	vivapain-2	0.011	0.0174	0.3774
Brugia malayi	Cathepsin L-like precursor	0.011	0.0174	0.0174
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0141	0.0299	0.1181
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0395	0.1313	0.5196
Onchocerca volvulus		0.011	0.0174	0.1944
Plasmodium falciparum	plasmepsin IX	0.0182	0.0462	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.013	0.0254	0.0549
Loa Loa (eye worm)	fibroinase	0.011	0.0174	0.012
Loa Loa (eye worm)	calpain	0.0141	0.0299	0.0245
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Plasmodium vivax	aspartyl protease, putative	0.0182	0.0462	1
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Onchocerca volvulus	Prolyl endopeptidase homolog	0.013	0.0254	0.324
Echinococcus multilocularis	calpain family protein 1, d	0.0276	0.0837	0.3311
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0242	0.07	0.2768
Onchocerca volvulus		0.011	0.0174	0.1944
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Loa Loa (eye worm)	calpain family protein 1	0.0375	0.1233	0.1184
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Onchocerca volvulus	Cathepsin L homolog	0.011	0.0174	0.1944
Echinococcus granulosus	cathepsin b	0.0699	0.2528	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0699	0.2528	0.2528
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Trypanosoma brucei	calpain-like protein, putative	0.0141	0.0299	0.4268
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.1181
Brugia malayi	Cathepsin L-like precursor	0.011	0.0174	0.0174
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.2566	1	1
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.1222	0.4624	1
Brugia malayi	Cathepsin L-like precursor	0.0081	0.0055	0.0055
Brugia malayi	calpain family protein 1	0.0375	0.1233	0.1233
Echinococcus multilocularis	calpain A	0.0395	0.1314	0.5199
Entamoeba histolytica	cysteine proteinase, putative	0.011	0.0174	1
Brugia malayi	Cathepsin L-like precursor	0.011	0.0174	0.0174
Echinococcus multilocularis	cathepsin L cysteine protease	0.011	0.0174	0.069
Toxoplasma gondii	aspartyl protease ASP3	0.0182	0.0462	0.5477
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Brugia malayi	calpain 7	0.0141	0.0299	0.0299
Loa Loa (eye worm)	hypothetical protein	0.013	0.0254	0.0199
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.1181
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0141	0.0299	0.4268
Schistosoma mansoni	calpain-7 (C02 family)	0.0141	0.0299	0.0646
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0081	0.0055	0.0793
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Schistosoma mansoni	cathepsin F (C01 family)	0.0081	0.0055	0.012
Giardia lamblia	Cathepsin B precursor	0.0242	0.07	0.5
Giardia lamblia	Cathepsin B precursor	0.0242	0.07	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.011	0.0174	0.069
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0699	0.2528	0.5467
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.011	0.0174	0.069
Loa Loa (eye worm)	cysteine protease	0.011	0.0174	0.012
Trypanosoma brucei	calpain-like protein, putative	0.0141	0.0299	0.4268
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0375	0.1233	0.2666
Brugia malayi	Cathepsin L-like precursor	0.011	0.0174	0.0174
Echinococcus granulosus	calpain A	0.0395	0.1314	0.5199
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0081	0.0055	0.0219
Trypanosoma cruzi	cysteine peptidase, putative	0.011	0.0174	0.069
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.011	0.0174	0.012
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Loa Loa (eye worm)	hypothetical protein	0.0332	0.1063	0.1013
Echinococcus multilocularis	cathepsin b	0.0699	0.2528	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0141	0.0299	0.1181
Leishmania major	cysteine peptidase A (CPA)	0.011	0.0174	0.0802
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.011	0.0174	0.2492
Echinococcus multilocularis	serotonin receptor	0.0164	0.039	0.1544
Schistosoma mansoni	cathepsin D (A01 family)	0.0209	0.0569	0.123
Onchocerca volvulus		0.011	0.0174	0.1944
Echinococcus multilocularis	cathepsin b	0.0699	0.2528	1
Onchocerca volvulus	Cathepsin L homolog	0.011	0.0174	0.1944
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Onchocerca volvulus		0.011	0.0174	0.1944
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.1181
Brugia malayi	cathepsin L-like precursor	0.0081	0.0055	0.0055
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.2978
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Echinococcus granulosus	cathepsin l cysteine peptidase	0.011	0.0174	0.069
Plasmodium vivax	calpain, putative	0.0141	0.0299	0.6463
Entamoeba histolytica	cysteine proteinase, putative	0.011	0.0174	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Echinococcus multilocularis	calpain 5	0.0141	0.0299	0.1181
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0699	0.2528	0.5467
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Schistosoma mansoni	cathepsin F (C01 family)	0.011	0.0174	0.0377
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0099	0.0129	0.7373
Echinococcus multilocularis	calpain 7 (C02 family)	0.0141	0.0299	0.1181
Brugia malayi	calpain family protein 1	0.0375	0.1233	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0164	0.039	0.0337
Trypanosoma cruzi	cysteine peptidase, putative	0.011	0.0174	0.069
Leishmania major	cathepsin L-like protease	0.011	0.0174	0.0802
Echinococcus granulosus	cathepsin L cysteine proteinase	0.011	0.0174	0.069
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.011	0.0174	0.2492
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Trypanosoma cruzi	kinesin, putative	0.0099	0.0129	0.0509
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0141	0.0299	0.0646
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.2978
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.011	0.0174	0.012
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0699	0.2528	1
Brugia malayi	calpain 5	0.0099	0.0129	0.0129
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0242	0.07	0.1513
Trypanosoma cruzi	cysteine peptidase, putative	0.011	0.0174	0.069
Trypanosoma brucei	prolyl endopeptidase	0.013	0.0254	0.3624
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0141	0.0299	0.1181
Plasmodium vivax	aspartyl protease, putative	0.0182	0.0462	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.4268
Loa Loa (eye worm)	hypothetical protein	0.0164	0.039	0.0337
Trypanosoma brucei	kinesin, putative	0.0099	0.0129	0.1837
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Schistosoma mansoni	calpain C (C02 family)	0.0141	0.0299	0.0646
Entamoeba histolytica	protein kinase, putative	0.0099	0.0129	0.7373
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0141	0.0299	0.1181
Onchocerca volvulus		0.011	0.0174	0.1944
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Schistosoma mansoni	cathepsin D (A01 family)	0.0209	0.0569	0.123
Onchocerca volvulus		0.011	0.0174	0.1944
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.011	0.0174	0.2492
Entamoeba histolytica	cysteine proteinase, putative	0.0081	0.0055	0.3182
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0395	0.1313	0.2841
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0141	0.0299	0.1181
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.011	0.0174	0.2492
Schistosoma mansoni	cathepsin F (C01 family)	0.011	0.0174	0.0377
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.013	0.0254	0.0549
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0699	0.2528	0.5467
Entamoeba histolytica	cysteine protease, putative	0.011	0.0174	1
Echinococcus multilocularis	prolyl endopeptidase	0.013	0.0254	0.1003
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.011	0.0174	0.069
Loa Loa (eye worm)	hypothetical protein	0.0699	0.2528	0.2486
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0699	0.2528	0.5467
Plasmodium falciparum	cysteine proteinase falcipain 3	0.011	0.0174	0.3774
Trypanosoma cruzi	cysteine peptidase, putative	0.011	0.0174	0.069
Echinococcus multilocularis	cysteine protease	0.011	0.0174	0.069
Trypanosoma brucei	antigen, putative	0.0141	0.0299	0.4268
Echinococcus granulosus	cathepsin b	0.0699	0.2528	1
Echinococcus granulosus	cathepsin l1	0.011	0.0174	0.069
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.011	0.0174	0.2492
Loa Loa (eye worm)	hypothetical protein	0.0375	0.1233	0.1184
Giardia lamblia	Cathepsin B precursor	0.0242	0.07	0.5
Echinococcus granulosus	calpain	0.0141	0.0299	0.1181
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.011	0.0174	0.3774

Activities

Activity type	Activity value	Assay description	Source	Reference
clogP	= 3.93	Calculated partition coefficient (clogP)	ChEMBL.	12477356
Inhibition (binding)	= 23 %	% inhibition of the compound towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes	ChEMBL.	12477356
Inhibition (binding)	= 23 %	% inhibition of the compound towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes	ChEMBL.	12477356
Inhibition (binding)	= 41 %	Tested in vitro for % inhibition against 5-hydroxytryptamine receptor 1A	ChEMBL.	10649982
Inhibition (binding)	= 41 %	Tested in vitro for % inhibition against 5-hydroxytryptamine receptor 1A	ChEMBL.	10649982
Ki (binding)	= 5.4 nM	In vitro binding affinity at human Dopamine receptor D4.4 by [3H]-YM-09151-2 displacement.	ChEMBL.	10649982
Ki (binding)	= 5.4 nM	Binding affinity towards human Dopamine receptor D4 using [3H]-spiroperidol as radioligand	ChEMBL.	12477356
Ki (binding)	= 5.4 nM	In vitro binding affinity at human Dopamine receptor D4.4 by [3H]-YM-09151-2 displacement.	ChEMBL.	10649982
Ki (binding)	= 5.4 nM	Binding affinity towards human Dopamine receptor D4 using [3H]-spiroperidol as radioligand	ChEMBL.	12477356
Ki (binding)	= 437 nM	In vitro binding affinity towards alpha-1 adrenergic receptor by using [3H]-prazosin in rat brain cortex membranes.	ChEMBL.	10649982
Ki (binding)	= 437 nM	Binding affinity towards Alpha-1 adrenergic receptor from rat cortical membranes	ChEMBL.	12477356
Ki (binding)	= 437 nM	In vitro binding affinity towards alpha-1 adrenergic receptor by using [3H]-prazosin in rat brain cortex membranes.	ChEMBL.	10649982
Ki (binding)	= 437 nM	Binding affinity towards Alpha-1 adrenergic receptor from rat cortical membranes	ChEMBL.	12477356
Ki (binding)	= 586 nM	Binding affinity towards Dopamine receptor D3 of rat using [3H]-spiroperidol as radioligand	ChEMBL.	12477356
Ki (binding)	= 586 nM	Binding affinity towards Dopamine receptor D3 of rat using [3H]-spiroperidol as radioligand	ChEMBL.	12477356
Ki (binding)	> 850 nM	In vitro binding affinity at 5-hydroxytryptamine receptor 1A receptor in rat hippocampal membranes by [3H]-8-OH-DPAT displacement.	ChEMBL.	10649982
Ki (binding)	> 850 nM	Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes	ChEMBL.	12477356
Ki (binding)	> 850 nM	In vitro binding affinity at 5-hydroxytryptamine receptor 1A receptor in rat hippocampal membranes by [3H]-8-OH-DPAT displacement.	ChEMBL.	10649982
Ki (binding)	> 850 nM	Binding affinity towards 5-hydroxytryptamine 1A receptor from rat hippocampal membranes	ChEMBL.	12477356
Ki (binding)	= 3950 nM	In vitro binding affinity at human Dopamine receptor D2 (long) by [3H]-spiroperidol displacement.	ChEMBL.	10649982
Ki (binding)	= 3950 nM	In vitro binding affinity at human Dopamine receptor D2 (long) by [3H]-spiroperidol displacement.	ChEMBL.	10649982
Ki (binding)	= 3960 nM	Binding affinity towards human Dopamine receptor D2 using [3H]-spiroperidol as radioligand	ChEMBL.	12477356
Ki (binding)	= 3960 nM	Binding affinity towards human Dopamine receptor D2 using [3H]-spiroperidol as radioligand	ChEMBL.	12477356

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: CHEMBL92713
PubChem: 10000302

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 154398