TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.502 | Formula: C22H32N2O
H donors: 0 H acceptors: 1 LogP: 4.46 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Cc2c(N1CCCCCN1CC[C@@H]3[C@@H](C1)CCCC3)cccc2
InChi: 1S/C22H32N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h4-5,9,11,18,20H,1-3,6-8,10,12-17H2/t18-,20-/m1/s1
InChiKey: SROBTXJTPXDWNJ-UYAOXDASSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus multilocularis	biogenic amine (5HT) receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Echinococcus multilocularis	serotonin receptor	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
Loa Loa (eye worm)	hypothetical 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
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133074	All targets in OG5_133074
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.046	0.6446	0.6446
Entamoeba histolytica	cysteine proteinase, putative	0.0206	0.1115	0.3182
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0206	0.1115	0.093
Onchocerca volvulus		0.0299	0.3068	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.063	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0243	0.1884	0.1884
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Brugia malayi	Cathepsin L-like precursor	0.0299	0.3068	0.2924
Brugia malayi	Cathepsin L-like precursor	0.0299	0.3068	0.2924
Loa Loa (eye worm)	cysteine protease	0.0299	0.3068	0.3068
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Giardia lamblia	Cathepsin B precursor	0.0243	0.1884	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.3068	0.2924
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Echinococcus granulosus	cathepsin l1	0.0206	0.1115	0.1115
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0162	0.0203	0.0203
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.3068	0.2924
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0299	0.3068	0.3068
Echinococcus multilocularis	cathepsin b	0.063	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Giardia lamblia	Cathepsin B precursor	0.0243	0.1884	0.5
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Brugia malayi	Cathepsin L-like precursor	0.0299	0.3068	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1115	0.3182
Onchocerca volvulus	Cathepsin L homolog	0.0299	0.3068	1
Leishmania major	cysteine peptidase A (CPA)	0.0299	0.3068	1
Onchocerca volvulus		0.0299	0.3068	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0243	0.1884	0.5868
Schistosoma mansoni	biogenic amine (5HT) receptor	0.046	0.6446	0.6446
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0299	0.3068	0.3068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Brugia malayi	Cathepsin L-like precursor	0.0299	0.3068	0.2924
Toxoplasma gondii	cathepsin CPL	0.0299	0.3068	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Echinococcus granulosus	cathepsin l1	0.0299	0.3068	0.3068
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0299	0.3068	0.3068
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.063	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Brugia malayi	cathepsin L-like precursor	0.0206	0.1115	0.093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1115	0.093
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.063	1	1
Brugia malayi	Cathepsin L-like precursor	0.0299	0.3068	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Loa Loa (eye worm)	hypothetical protein	0.0206	0.1115	0.1115
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.063	1	1
Echinococcus granulosus	cathepsin L	0.0162	0.0203	0.0203
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0243	0.1884	0.5868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0299	0.3068	1
Echinococcus multilocularis	cysteine protease	0.0299	0.3068	0.3068
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.063	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0162	0.0203	0.0203
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Loa Loa (eye worm)	hypothetical protein	0.0299	0.3068	0.3068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Brugia malayi	Papain family cysteine protease containing protein	0.0299	0.3068	0.2924
Loa Loa (eye worm)	fibroinase	0.0299	0.3068	0.3068
Plasmodium vivax	vivapain-2	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Echinococcus multilocularis	cathepsin L	0.0162	0.0203	0.0203
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0299	0.3068	1
Onchocerca volvulus		0.0299	0.3068	1
Onchocerca volvulus		0.0299	0.3068	1
Loa Loa (eye worm)	hypothetical protein	0.0206	0.1115	0.1115
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0299	0.3068	1
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Brugia malayi	Cathepsin L-like precursor	0.0299	0.3068	0.2924
Entamoeba histolytica	cysteine proteinase, putative	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0206	0.1115	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0299	0.3068	0.3068
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0243	0.1884	0.1716
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Echinococcus multilocularis	cysteine protease	0.0299	0.3068	0.3068
Loa Loa (eye worm)	hypothetical protein	0.0206	0.1115	0.1115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0299	0.3068	0.3068
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.3068	0.2924
Trypanosoma cruzi	cruzipain precursor, putative	0.0299	0.3068	0.2924
Trypanosoma cruzi	cysteine peptidase, putative	0.0299	0.3068	0.2924
Echinococcus granulosus	cathepsin b	0.063	1	1
Echinococcus multilocularis	cathepsin b	0.063	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0299	0.3068	1
Onchocerca volvulus	Cathepsin L homolog	0.0299	0.3068	1
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.046	0.6446	0.6446
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0299	0.3068	1
Plasmodium vivax	vivapain-2	0.0299	0.3068	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0162	0.0203	0.0203
Onchocerca volvulus		0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0206	0.1115	0.1115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0299	0.3068	0.3068
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0299	0.3068	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0299	0.3068	1
Entamoeba histolytica	cysteine proteinase, putative	0.0299	0.3068	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0299	0.3068	0.3068
Loa Loa (eye worm)	ctsf protein	0.0299	0.3068	0.3068
Entamoeba histolytica	cysteine protease, putative	0.0299	0.3068	1
Brugia malayi	Cathepsin L-like precursor	0.0206	0.1115	0.093
Leishmania major	cathepsin L-like protease	0.0299	0.3068	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0299	0.3068	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Echinococcus granulosus	cysteine protease	0.0162	0.0203	0.0203
Echinococcus granulosus	cathepsin b	0.063	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0299	0.3068	0.3068
Echinococcus multilocularis	cathepsin L cysteine protease	0.0299	0.3068	0.3068
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Loa Loa (eye worm)	hypothetical protein	0.063	1	1
Onchocerca volvulus		0.0299	0.3068	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0299	0.3068	0.3068
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0206	0.1115	0.093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Onchocerca volvulus		0.0299	0.3068	1
Loa Loa (eye worm)	cathepsin B	0.0243	0.1884	0.1884
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0299	0.3068	1
Giardia lamblia	Cathepsin B precursor	0.0243	0.1884	0.5
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0162	0.0203	0.0203

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 41 nM	Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry	ChEMBL.	25073094
Ki (binding)	= 491 nM	Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry	ChEMBL.	25073094

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: CHEMBL3321796

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 923021