TDR Targets

Basic information

Technical information

TDR Targets ID: 200814
Name: 7-chloro-3-[(E)-3-(4-dimethylaminophenyl)prop -2-enyl]-1-phenyl-1,2,4,5-tetrahydro-3-benzaz epin-8-ol
MW: 432.985 | Formula: C27H29ClN2O
H donors: 1 H acceptors: 1 LogP: 6.24 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(c1ccc(cc1)/C=C/CN1CCc2c(C(C1)c1ccccc1)cc(c(c2)Cl)O)C
InChi: 1S/C27H29ClN2O/c1-29(2)23-12-10-20(11-13-23)7-6-15-30-16-14-22-17-26(28)27(31)18-24(22)25(19-30)21-8-4-3-5-9-21/h3-13,17-18,25,31H,14-16,19H2,1-2H3/b7-6+
InChiKey: WNLBCBQNLPTEAJ-VOTSOKGWSA-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

7-chloro-3-[(E)-3-(4-dimethylaminophenyl)allyl]-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Dopamine D2 receptor	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine D1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_132667	All targets in OG5_132667
Schistosoma japonicum	5-hydroxytryptamine receptor 1, putative	Get druggable targets OG5_132667	All targets in OG5_132667

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	amine GPCR	Dopamine D2 receptor	444 aa	424 aa	32.1 %
Onchocerca volvulus	RB1-inducible coiled-coil protein 1 homolog	Dopamine D2 receptor	444 aa	474 aa	23.4 %
Onchocerca volvulus		Dopamine D2 receptor	444 aa	418 aa	23.0 %
Schistosoma japonicum	ko:K04207 neuropeptide Y receptor Y5, putative	Dopamine D2 receptor	444 aa	386 aa	19.7 %
Echinococcus granulosus	g protein coupled receptor	Dopamine D2 receptor	444 aa	457 aa	21.0 %
Loa Loa (eye worm)	hypothetical protein	Dopamine D1 receptor	446 aa	370 aa	24.9 %
Schistosoma mansoni	biogenic amine (dopamine) receptor	Dopamine D2 receptor	444 aa	494 aa	26.3 %
Onchocerca volvulus	Glycoprotein hormone beta 5 homolog	Dopamine D2 receptor	444 aa	476 aa	24.2 %
Echinococcus granulosus	biogenic amine 5HT receptor	Dopamine D2 receptor	444 aa	429 aa	31.7 %
Echinococcus multilocularis	serotonin receptor	Dopamine D2 receptor	444 aa	428 aa	31.3 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Dopamine D1 receptor	446 aa	407 aa	33.7 %
Schistosoma japonicum	Octopamine receptor, putative	Dopamine D2 receptor	444 aa	456 aa	29.4 %
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 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D1 receptor	446 aa	373 aa	25.5 %
Onchocerca volvulus		Dopamine D1 receptor	446 aa	357 aa	21.0 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine D1 receptor	446 aa	366 aa	35.2 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Dopamine D1 receptor	446 aa	394 aa	29.9 %
Echinococcus multilocularis	g protein coupled receptor	Dopamine D2 receptor	444 aa	465 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cathepsin L-like precursor	0.0062	0.3089	0.3089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0062	0.3089	0.8838
Loa Loa (eye worm)	hypothetical protein	0.0184	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	1	1
Schistosoma mansoni	cathepsin C	0.0016	0.0489	0.0489
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0489	0.0489
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0034	0.1543	0.1108
Trypanosoma cruzi	cruzipain precursor, putative	0.0019	0.0661	0.018
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0068	0.3431	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0043	0.2035	0.2035
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Onchocerca volvulus		0.0062	0.3089	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0062	0.3089	0.3089
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0024	0.0964	0.0964
Onchocerca volvulus	Cathepsin L homolog	0.0062	0.3089	1
Entamoeba histolytica	cysteine proteinase, putative	0.0062	0.3089	1
Entamoeba histolytica	cysteine proteinase, putative	0.0062	0.3089	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0062	0.3089	0.3089
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0016	0.0489	0.0489
Echinococcus multilocularis	cathepsin L cysteine protease	0.0062	0.3089	0.3089
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0661	0.0661
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2035	0.2035
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Echinococcus multilocularis	cysteine protease	0.0062	0.3089	0.3089
Echinococcus granulosus	cathepsin L	0.0034	0.1543	0.1543
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2035	0.2035
Entamoeba histolytica	cysteine protease, putative	0.0062	0.3089	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0034	0.1543	0.4054
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0068	0.3431	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.3089	0.2733
Schistosoma mansoni	voltage-gated potassium channel	0.0026	0.1089	0.1089
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1543	0.4054
Plasmodium vivax	vivapain-2	0.0062	0.3089	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Echinococcus granulosus	cysteine protease	0.0034	0.1543	0.1543
Echinococcus multilocularis	cathepsin b	0.0184	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0062	0.3089	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0489	0.0489
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0016	0.0489	0.0489
Brugia malayi	cathepsin F-like cysteine proteinase	0.0019	0.0661	0.0661
Toxoplasma gondii	cathepsin CPL	0.0062	0.3089	0.8838
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0068	0.3431	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0489	0.0489
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.1543	0.1108
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0184	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1543	0.4054
Onchocerca volvulus		0.0043	0.2035	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0489	0.0489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0062	0.3089	0.3089
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0024	0.0964	0.0964
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0034	0.1543	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0034	0.1543	0.1108
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Brugia malayi	cathepsin L precursor	0.0016	0.0489	0.0489
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0062	0.3089	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0062	0.3089	0.3089
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Onchocerca volvulus		0.0062	0.3089	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0043	0.2035	0.1625
Plasmodium vivax	vivapain-1	0.0034	0.1543	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Entamoeba histolytica	cysteine proteinase, putative	0.0043	0.2035	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0661	0.0661
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.3089	0.2733
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.0661	0.018
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.3089	0.2733
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.1543	0.1543
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0043	0.2035	0.2035
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0024	0.0964	0.0964
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0875	0.131
Brugia malayi	Papain family cysteine protease containing protein	0.0062	0.3089	0.3089
Schistosoma mansoni	cathepsin F (C01 family)	0.0043	0.2035	0.2035
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0068	0.3431	1
Trypanosoma cruzi	cysteine protease, putative	0.0034	0.1543	0.1108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.0661	0.0661
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.2035	0.5255
Brugia malayi	cathepsin F-like cysteine proteinase	0.0016	0.0489	0.0489
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1543	0.4054
Plasmodium vivax	unspecified product	0.0019	0.0661	0.066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.2035	0.5255
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0016	0.0489	0.0489
Brugia malayi	Cathepsin L-like precursor	0.0062	0.3089	0.3089
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0016	0.0489	0.0489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Loa Loa (eye worm)	hypothetical protein	0.0043	0.2035	0.2035
Echinococcus granulosus	cathepsin l1	0.0043	0.2035	0.2035
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Onchocerca volvulus		0.0062	0.3089	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0016	0.0489	0.0489
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0661	0.0661
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0016	0.0489	0.0489
Onchocerca volvulus	Cathepsin F homolog	0.0062	0.3089	1
Echinococcus granulosus	cathepsin L	0.0016	0.0489	0.0489
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0016	0.0489	0.0489
Plasmodium vivax	unspecified product	0.0034	0.1543	0.4054
Giardia lamblia	Cathepsin B precursor	0.0068	0.3431	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0489	0.0489
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0489	0.0489
Entamoeba histolytica	cysteine proteinase 2	0.0034	0.1543	0.4054
Schistosoma mansoni	cathepsin S (C01 family)	0.0016	0.0489	0.0489
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Onchocerca volvulus		0.0062	0.3089	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0489	0.0489
Brugia malayi	cathepsin L-like precursor	0.0043	0.2035	0.2035
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0785	0.0785
Giardia lamblia	Cathepsin B precursor	0.0068	0.3431	1
Giardia lamblia	Cathepsin B precursor	0.0068	0.3431	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0062	0.3089	0.3089
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Trypanosoma cruzi	cysteine peptidase, putative	0.0034	0.1543	0.1108
Echinococcus multilocularis	cathepsin L	0.0016	0.0489	0.0489
Brugia malayi	cathepsin L-like cysteine proteinase	0.0016	0.0489	0.0489
Echinococcus multilocularis	cathepsin L cysteine protease	0.0062	0.3089	0.3089
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0016	0.0489	0.0489
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.3089	0.2733
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0489	0.0489
Brugia malayi	Cathepsin L-like precursor	0.0062	0.3089	0.3089
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Brugia malayi	fibroinase precursor	0.0016	0.0489	0.0489
Echinococcus granulosus	cathepsin b	0.0184	1	1
Echinococcus multilocularis	cysteine protease	0.0062	0.3089	0.3089
Brugia malayi	Cathepsin L-like precursor	0.0062	0.3089	0.3089
Schistosoma mansoni	cathepsin s	0.0019	0.0661	0.0661
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.1543	0.1543
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0875	0.131
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0184	1	1
Plasmodium vivax	vivapain-2	0.0062	0.3089	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0043	0.2035	0.2035
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0016	0.0489	0.0489
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.1543	0.1543
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0019	0.0661	0.0661
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0034	0.1543	0.1543
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Brugia malayi	Cathepsin L-like precursor	0.0062	0.3089	0.3089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1543	0.3583
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0062	0.3089	0.3089
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0016	0.0489	0.0489
Echinococcus multilocularis	cathepsin b	0.0184	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.3089	0.2733
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0062	0.3089	0.8838
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0489	0.0489
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0184	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0024	0.0964	0.0964
Loa Loa (eye worm)	cysteine protease	0.0062	0.3089	0.3089
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0016	0.0489	0.0489
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.1543	0.1543
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1543	0.4054
Loa Loa (eye worm)	ctsf protein	0.0062	0.3089	0.3089
Schistosoma mansoni	cathepsin B (C01 family)	0.0016	0.0489	0.0489
Schistosoma mansoni	voltage-gated potassium channel	0.0026	0.1089	0.1089
Onchocerca volvulus		0.0062	0.3089	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Brugia malayi	Cathepsin L-like precursor	0.0062	0.3089	0.3089
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3089	0.3089
Loa Loa (eye worm)	cathepsin B	0.0068	0.3431	0.3431
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0489	0.0489
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1543	0.3583
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0016	0.0489	0.0489
Onchocerca volvulus		0.0062	0.3089	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0062	0.3089	0.8838
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0062	0.3089	1
Echinococcus multilocularis	cathepsin L	0.0034	0.1543	0.1543
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Echinococcus granulosus	cathepsin b	0.0184	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Onchocerca volvulus	Cathepsin L homolog	0.0062	0.3089	1
Echinococcus granulosus	cathepsin l1	0.0062	0.3089	0.3089
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0661	0.0661
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1543	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0062	0.3089	0.3089
Loa Loa (eye worm)	fibroinase	0.0062	0.3089	0.3089
Onchocerca volvulus		0.0062	0.3089	1
Toxoplasma gondii	cathepsin B	0.0068	0.3431	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0068	0.3431	0.3431
Echinococcus granulosus	cathepsin L cysteine protease	0.0034	0.1543	0.1543
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0062	0.3089	0.3089
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.3089	0.8838
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0016	0.0489	0.0489
Plasmodium vivax	vivapain-3	0.0034	0.1543	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.3089	0.8189
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0489	0.0489

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (functional)	= 18.4 nM	Dopamine receptor D1 antagonistic activity as ability to block dopamine-stimulated adenylate cyclase in rat caudate	ChEMBL.	8765528
Ki (functional)	= 18.4 nM	Dopamine receptor D1 antagonistic activity as ability to block dopamine-stimulated adenylate cyclase in rat caudate	ChEMBL.	8765528
Ki (binding)	= 60.7 nM	Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]-SCH-23390) binding assay	ChEMBL.	8765528
Ki (binding)	= 60.7 nM	Compound was tested for the Binding affinity against Human cloned Dopamine receptor D1 by Radio ligand ([3H]-SCH-23390) binding assay	ChEMBL.	8765528
Ki (binding)	= 345 nM	Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane	ChEMBL.	8765528
Ki (binding)	= 345 nM	Affinity for Dopamine receptor D2 binding measured by sulpiride 23390 to rat striatal membrane	ChEMBL.	8765528

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: CHEMBL114228
PubChem: 10071501

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 200814