TDR Targets

Basic information

Technical information

TDR Targets ID: 43990
Name: 7-chloro-1-(4-iodophenyl)-3-methyl-1,2,4,5-te trahydro-3-benzazepin-8-ol
MW: 413.68 | Formula: C17H17ClINO
H donors: 1 H acceptors: 1 LogP: 4.63 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCc2c(C(C1)c1ccc(cc1)I)cc(c(c2)Cl)O
InChi: 1S/C17H17ClINO/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10H2,1H3
InChiKey: SFEBAZSWFKLMDP-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

7-chloro-8-hydroxy-1-(4'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
120685-95-2
(125I)Fisch

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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 1, putative	Get druggable targets OG5_132667	All targets in OG5_132667
Schistosoma japonicum	5-hydroxytryptamine receptor, 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 japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Dopamine D1 receptor	446 aa	407 aa	33.7 %
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 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D1 receptor	446 aa	373 aa	25.5 %
Loa Loa (eye worm)	hypothetical protein	Dopamine D1 receptor	446 aa	370 aa	24.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Onchocerca volvulus		0.0347	0.3065	0.6579
Loa Loa (eye worm)	hypothetical protein	0.0234	0.1686	0.1686
Brugia malayi	Cathepsin L-like precursor	0.0234	0.1686	0.1686
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Brugia malayi	Cathepsin L-like precursor	0.0347	0.3065	0.3065
Echinococcus granulosus	rho-associated protein kinase 1	0.0297	0.2449	0.7713
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0347	0.3065	1
Onchocerca volvulus	Cathepsin L homolog	0.0347	0.3065	0.6579
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0395	0.0395
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0113	0.0219	0.0219
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Schistosoma mansoni	serine/threonine protein kinase	0.0356	0.3175	0.9999
Loa Loa (eye worm)	hypothetical protein	0.0347	0.3065	0.3065
Loa Loa (eye worm)	fibroinase	0.0347	0.3065	0.3065
Schistosoma mansoni	serine/threonine protein kinase	0.0229	0.163	0.5135
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Plasmodium vivax	vivapain-1	0.0181	0.1042	0.2893
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0112	0.0199	0.0649
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Loa Loa (eye worm)	thyroid receptor interactor	0.0144	0.0597	0.0597
Schistosoma mansoni	serine/threonine protein kinase	0.0297	0.2449	0.7713
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Loa Loa (eye worm)	hypothetical protein	0.0234	0.1686	0.1686
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0181	0.1042	0.34
Brugia malayi	Cathepsin L-like precursor	0.0347	0.3065	0.3065
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0181	0.1042	0.3283
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0347	0.3065	0.9654
Echinococcus multilocularis	serine threonine protein kinase	0.0178	0.1001	0.3154
Schistosoma mansoni	cathepsin F (C01 family)	0.0234	0.1686	0.531
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0206	0.1343	0.4383
Brugia malayi	protein kinase C II.	0.0356	0.3175	0.3175
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0181	0.1042	0.3283
Schistosoma mansoni	cathepsin F (C01 family)	0.0347	0.3065	0.9654
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0347	0.3065	1
Echinococcus granulosus	cathepsin b	0.021	0.1396	0.4397
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.021	0.1396	0.4397
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0347	0.3065	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0347	0.3065	0.9654
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0347	0.3065	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.021	0.1396	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0219	0.0219
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0181	0.1042	0.34
Plasmodium vivax	vivapain-2	0.0347	0.3065	1
Onchocerca volvulus	Cathepsin F homolog	0.0347	0.3065	0.6579
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0234	0.1686	0.1686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Brugia malayi	Cathepsin L-like precursor	0.0347	0.3065	0.3065
Giardia lamblia	Cathepsin B precursor	0.0112	0.0199	0.5
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Brugia malayi	Papain family cysteine protease containing protein	0.0181	0.1042	0.1042
Echinococcus granulosus	protein kinase c iota type	0.0147	0.0629	0.1981
Trypanosoma cruzi	cysteine protease, putative	0.0181	0.1042	0.2942
Entamoeba histolytica	cysteine proteinase, putative	0.0347	0.3065	1
Brugia malayi	Cathepsin L-like precursor	0.0347	0.3065	0.3065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.1686	0.55
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.021	0.1396	0.4397
Brugia malayi	Papain family cysteine protease containing protein	0.0347	0.3065	0.3065
Loa Loa (eye worm)	hypothetical protein	0.021	0.1396	0.1396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Loa Loa (eye worm)	hypothetical protein	0.0406	0.3782	0.3782
Trypanosoma cruzi	cysteine peptidase, putative	0.0347	0.3065	1
Leishmania major	cysteine peptidase A (CPA)	0.0347	0.3065	1
Echinococcus multilocularis	protein kinase c iota type	0.0147	0.0629	0.1981
Brugia malayi	Papain family cysteine protease containing protein	0.0181	0.1042	0.1042
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0113	0.0219	0.0219
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0347	0.3065	0.9654
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Loa Loa (eye worm)	hypothetical protein	0.0502	0.4943	0.4943
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0356	0.3175	0.3175
Trypanosoma cruzi	cysteine proteinase, putative	0.0181	0.1042	0.2942
Trypanosoma cruzi	cysteine peptidase, putative	0.0347	0.3065	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0261	0.2014	0.6344
Toxoplasma gondii	cathepsin CPL	0.0347	0.3065	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Echinococcus granulosus	cathepsin b	0.021	0.1396	0.4397
Trypanosoma cruzi	cysteine peptidase, putative	0.0347	0.3065	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0347	0.3065	0.9654
Echinococcus granulosus	protein kinase C gamma type	0.0178	0.1001	0.3154
Loa Loa (eye worm)	hypothetical protein	0.0234	0.1686	0.1686
Echinococcus multilocularis	rho associated protein kinase	0.0297	0.2449	0.7713
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0181	0.1042	0.34
Plasmodium vivax	unspecified product	0.0181	0.1042	0.2893
Echinococcus granulosus	cathepsin l1	0.0347	0.3065	0.9654
Entamoeba histolytica	cysteine proteinase 2	0.0181	0.1042	0.34
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Echinococcus multilocularis	cathepsin b	0.021	0.1396	0.4397
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0918	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0112	0.0199	0.0627
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Trypanosoma cruzi	cysteine proteinase, putative	0.0181	0.1042	0.2942
Brugia malayi	cathepsin B-like cysteine proteinase	0.021	0.1396	0.1396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0234	0.1686	0.55
Onchocerca volvulus	Cathepsin L homolog	0.0347	0.3065	0.6579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Onchocerca volvulus		0.0406	0.3782	1
Plasmodium vivax	vivapain-2	0.0347	0.3065	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Plasmodium vivax	vivapain-3	0.0181	0.1042	0.2893
Entamoeba histolytica	cysteine proteinase, putative	0.0181	0.1042	0.34
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0229	0.163	0.5135
Onchocerca volvulus		0.0347	0.3065	0.6579
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.021	0.1396	0.4397
Brugia malayi	Protein kinase c protein 2	0.0137	0.0502	0.0502
Schistosoma mansoni	serine/threonine protein kinase	0.0356	0.3175	1
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Brugia malayi	Fes/CIP4 homology domain containing protein	0.0144	0.0597	0.0597
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0299	0.2471	0.7784
Loa Loa (eye worm)	cathepsin B	0.0112	0.0199	0.0199
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Entamoeba histolytica	cysteine proteinase, putative	0.0347	0.3065	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Schistosoma mansoni	serine/threonine protein kinase	0.0229	0.163	0.5135
Onchocerca volvulus		0.0347	0.3065	0.6579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Entamoeba histolytica	cysteine proteinase, putative	0.0234	0.1686	0.55
Echinococcus multilocularis	cathepsin L cysteine protease	0.0347	0.3065	0.9654
Echinococcus granulosus	cathepsin l1	0.0234	0.1686	0.531
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0181	0.1042	0.3283
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Loa Loa (eye worm)	hypothetical protein	0.0458	0.4411	0.4411
Brugia malayi	cathepsin F-like cysteine proteinase	0.0113	0.0219	0.0219
Brugia malayi	cathepsin L-like precursor	0.0234	0.1686	0.1686
Brugia malayi	Hr1 repeat family protein	0.0356	0.3175	0.3175
Schistosoma mansoni	cathepsin F (C01 family)	0.0347	0.3065	0.9654
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0261	0.2014	0.6344
Onchocerca volvulus		0.0294	0.2416	0.3485
Echinococcus granulosus	serine:threonine protein kinase N2	0.0356	0.3175	0.9999
Echinococcus multilocularis	cysteine protease	0.0347	0.3065	0.9654
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0347	0.3065	1
Onchocerca volvulus		0.0347	0.3065	0.6579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Schistosoma mansoni	atypical protein kinase C	0.0147	0.0629	0.1981
Brugia malayi	Cathepsin L-like precursor	0.0347	0.3065	0.3065
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.021	0.1396	0.4397
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0347	0.3065	1
Brugia malayi	Cathepsin L-like precursor	0.0347	0.3065	0.3065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0229	0.163	0.5135
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0219	0.0219
Echinococcus multilocularis	cathepsin L	0.0181	0.1042	0.3283
Echinococcus granulosus	protein kinase c epsilon type	0.0356	0.3175	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0113	0.0219	0.0069
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0181	0.1042	0.3283
Onchocerca volvulus		0.0347	0.3065	0.6579
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0181	0.1042	0.2942
Echinococcus multilocularis	protein kinase c epsilon type	0.0356	0.3175	1
Loa Loa (eye worm)	cysteine protease	0.0347	0.3065	0.3065
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Entamoeba histolytica	cysteine proteinase, putative	0.0181	0.1042	0.34
Brugia malayi	Cathepsin L-like precursor	0.0234	0.1686	0.1686
Leishmania major	cathepsin L-like protease	0.0347	0.3065	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Giardia lamblia	Cathepsin B precursor	0.0112	0.0199	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Loa Loa (eye worm)	ctsf protein	0.0347	0.3065	0.3065
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0356	0.3175	0.3175
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Onchocerca volvulus		0.0347	0.3065	0.6579
Trypanosoma cruzi	cysteine peptidase, putative	0.0181	0.1042	0.2942
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0181	0.1042	0.34
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0347	0.3065	0.3065
Toxoplasma gondii	cathepsin B	0.0112	0.0199	0.0649
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Brugia malayi	Cathepsin L-like precursor	0.0113	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0219	0.0219
Trypanosoma cruzi	cruzipain precursor, putative	0.0113	0.0219	0.0069
Echinococcus multilocularis	cathepsin b	0.021	0.1396	0.4397
Echinococcus granulosus	cysteine protease	0.0181	0.1042	0.3283
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0347	0.3065	1
Loa Loa (eye worm)	hypothetical protein	0.0406	0.3782	0.3782
Entamoeba histolytica	cysteine protease, putative	0.0347	0.3065	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0206	0.1343	0.4231
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0112	0.0199	0.0649
Entamoeba histolytica	cysteine proteinase, putative	0.0181	0.1042	0.34
Echinococcus granulosus	cathepsin L	0.0181	0.1042	0.3283
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0234	0.1686	0.5188
Echinococcus multilocularis	cysteine protease	0.0347	0.3065	0.9654
Giardia lamblia	Cathepsin B precursor	0.0112	0.0199	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0347	0.3065	1
Schistosoma mansoni	cathepsin s	0.0113	0.0219	0.0689
Onchocerca volvulus		0.0297	0.2449	0.364
Onchocerca volvulus		0.0347	0.3065	0.6579
Entamoeba histolytica	cysteine protease, putative	0.0181	0.1042	0.34
Entamoeba histolytica	cysteine proteinase, putative	0.0181	0.1042	0.34
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0347	0.3065	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0356	0.3175	0.9999
Echinococcus multilocularis	cathepsin L cysteine protease	0.0347	0.3065	0.9654
Loa Loa (eye worm)	hypothetical protein	0.0406	0.3782	0.3782
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0347	0.3065	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0347	0.3065	0.3065
Entamoeba histolytica	cysteine proteinase 1, putative	0.0181	0.1042	0.34

Activities

Activity type	Activity value	Assay description	Source	Reference
Biodistribution (ADMET)	= 0.04 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in thyroid; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 0.06 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in thyroid; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 0.11 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in thyroid; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 0.18 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in heart; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 0.38 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in heart; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 0.55 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in brain; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 0.56 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in spleen; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 0.67 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in spleen; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 1.31 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in kidney; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 1.4 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in brain; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 1.47 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in lung; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 1.83 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in blood; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 1.97 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in heart; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 2.09 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in kidney; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 2.27 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in brain; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 2.28 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in blood; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 2.73 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in lung; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 2.79 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in spleen; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 3.46 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in blood; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 5.98 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in kidney; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 7.43 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in skin; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 8.55 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in lung; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 9.25 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in skin; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 9.62 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in skin; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 12.32 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in liver; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 14.72 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in liver; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 17.1 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in liver; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 19.07 %	In vivo biodistribution of the compound in rats after an intravenous injection at 60 min was determined in muscle; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 34.22 %	In vivo biodistribution of the compound in rats after an intravenous injection at 15 min was determined in muscle; Expresed as percent dose/organ	ChEMBL.	2525621
Biodistribution (ADMET)	= 35.68 %	In vivo biodistribution of the compound in rats after an intravenous injection at 2 min was determined in muscle; Expresed as percent dose/organ	ChEMBL.	2525621
Kd (binding)	= 1.43 nM	Compound was evaluated in vitro for the binding affinity to the rat striatal homogenate	ChEMBL.	2525621
Ki (binding)	= 1.71 nM	In vitro binding affinity of the compound towards Dopamine receptor D1 by displacing [125I]-FISCH radioligand in rat striatal homogenate	ChEMBL.	2525621
Ki (binding)	= 1.71 nM	In vitro binding affinity of the compound towards Dopamine receptor D1 by displacing [125I]-FISCH radioligand in rat striatal homogenate	ChEMBL.	2525621
Ratio (ADMET)	= 3.08 %	Selectivity ratio for biodistribution of the compound in brain and blood of rats after 60 minutes; Expresed as percent dose/gram ratio	ChEMBL.	2525621
Ratio (ADMET)	= 6.19 %	Selectivity ratio for biodistribution of the compound in brain and blood of rats after 15 minutes; Expresed as percent dose/gram ratio	ChEMBL.	2525621
Ratio (ADMET)	= 7.35 %	Selectivity ratio for biodistribution of the compound in brain and blood of rats after 2 minutes; Expresed as percent dose/gram ratio	ChEMBL.	2525621

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.

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External resources for this compound

Search by CAS
PubChem: 129244

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 43990