TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 304.429 | Formula: C21H24N2
H donors: 0 H acceptors: 0 LogP: 4.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCC/N=C/1\c2ccccc2C2C(c3c1cccc3)C2)C
InChi: 1S/C21H24N2/c1-23(2)13-7-12-22-21-17-10-5-3-8-15(17)19-14-20(19)16-9-4-6-11-18(16)21/h3-6,8-11,19-20H,7,12-14H2,1-2H3
InChiKey: RHLQBNMICUWUDP-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	Plexin repeat family protein	0.062	0.4572	0.8205
Schistosoma mansoni	hypothetical protein	0.0265	0.161	0.3522
Brugia malayi	IPT/TIG domain containing protein	0.0116	0.0369	0.041
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0089	0.0148	0.5
Echinococcus granulosus	transcription factor collier	0.0116	0.0369	0.0384
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0089	0.0148	0.5
Onchocerca volvulus		0.0265	0.161	0.3305
Brugia malayi	Sema domain containing protein	0.0265	0.161	0.2712
Onchocerca volvulus		0.062	0.4572	1
Echinococcus granulosus	roundabout 2	0.0075	0.0028	0.0029
Schistosoma mansoni	hypothetical protein	0.0355	0.2363	0.5169
Brugia malayi	Probable exocyst complex component Sec5	0.0116	0.0369	0.041
Schistosoma mansoni	hypothetical protein	0.0116	0.0369	0.0808
Echinococcus multilocularis	roundabout 2	0.0075	0.0028	0.005
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0089	0.0148	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0265	0.161	0.2871
Schistosoma mansoni	amine oxidase	0.0089	0.0148	0.0323
Echinococcus granulosus	semaphorin 1A	0.0265	0.161	0.1675
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0148	0.0218
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0089	0.0148	0.5
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0089	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0369	0.0619
Brugia malayi	hypothetical protein	0.0265	0.161	0.2712
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0148	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0148	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0148	0.0218
Loa Loa (eye worm)	sema domain-containing protein	0.0265	0.161	0.2871
Plasmodium vivax	hypothetical protein, conserved	0.0089	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0265	0.161	0.2871
Schistosoma mansoni	semaphorin 5-related	0.0265	0.161	0.3522
Echinococcus multilocularis	exocyst complex component 2	0.0116	0.0369	0.0666
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0116	0.0369	0.5
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0369	0.0619
Brugia malayi	DNA-binding protein LAG-1	0.0116	0.0369	0.041
Loa Loa (eye worm)	sema domain-containing protein	0.0265	0.161	0.2871
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0256	0.1534	0.2733
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.127	1	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0089	0.0148	0.5
Schistosoma mansoni	amine oxidase	0.0089	0.0148	0.0323
Schistosoma mansoni	fibrocystin l	0.0116	0.0369	0.0808
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0089	0.0148	0.0323
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0369	0.5
Schistosoma mansoni	hypothetical protein	0.0265	0.161	0.3522
Brugia malayi	Sema domain containing protein	0.0265	0.161	0.2712
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0369	0.0619
Echinococcus multilocularis	plexin a4	0.0736	0.5539	1
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0369	0.5
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0089	0.0148	0.0267
Schistosoma mansoni	plexin	0.0355	0.2363	0.5169
Toxoplasma gondii	histone lysine-specific demethylase	0.0089	0.0148	0.5
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0089	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0369	0.0619
Echinococcus multilocularis	transcription factor collier	0.0116	0.0369	0.0666
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1181	0.9254	1
Loa Loa (eye worm)	hypothetical protein	0.0265	0.161	0.2871
Plasmodium vivax	hypothetical protein, conserved	0.0089	0.0148	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0116	0.0369	0.5
Brugia malayi	plexin A	0.0736	0.5539	1
Loa Loa (eye worm)	hypothetical protein	0.062	0.4572	0.8244
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0089	0.0148	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0116	0.0369	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0155	0.0699	1
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0369	0.5
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0089	0.0148	0.0267
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0089	0.0148	0.5
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0089	0.0148	0.0154
Echinococcus granulosus	exocyst complex component 2	0.0116	0.0369	0.0384
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0089	0.0148	0.5
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.1224	0.9614	1
Echinococcus multilocularis		0.0089	0.0148	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0265	0.161	0.2871
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0116	0.0369	0.5
Onchocerca volvulus	Tyrosine kinase homolog	0.0203	0.1093	0.2137
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0369	0.5
Loa Loa (eye worm)	hypothetical protein	0.0265	0.161	0.2871
Echinococcus multilocularis	hypothetical protein	0.0265	0.161	0.2907
Echinococcus granulosus	plexin a4	0.0736	0.5539	0.5762
Echinococcus granulosus	semaphorin 5B	0.0265	0.161	0.1675
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0369	0.5
Loa Loa (eye worm)	plexin A	0.0736	0.5539	1
Brugia malayi	hypothetical protein	0.0265	0.161	0.2712
Leishmania major	UDP-galactopyranose mutase	0.0089	0.0148	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0369	0.5
Loa Loa (eye worm)	hypothetical protein	0.0355	0.2363	0.4237
Loa Loa (eye worm)	hypothetical protein	0.0265	0.161	0.2871
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0089	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0148	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0148	0.0218
Schistosoma mansoni	plexin	0.062	0.4572	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0089	0.0148	0.0323
Schistosoma mansoni	hypothetical protein	0.0116	0.0369	0.0808
Onchocerca volvulus		0.0152	0.0671	0.1182
Echinococcus multilocularis	semaphorin 5B	0.0265	0.161	0.2907
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0369	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0256	0.1534	0.2571
Entamoeba histolytica	tyrosin kinase, putative	0.0155	0.0699	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0116	0.0369	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 1.7 mg kg-1	Compound was tested for antidepressant activity by determining the reversal of tetrabenazine-induced ptosis upon oral administration; 0.9-3.3	ChEMBL.	7265119
ED50 (functional)	= 1.7 mg kg-1	Compound was tested for antidepressant activity by determining the reversal of tetrabenazine-induced ptosis upon oral administration; 0.9-3.3	ChEMBL.	7265119
ED50 (functional)	= 12 mg kg-1	Effect on pupil dilation was measured in mice upon oral administration	ChEMBL.	7265119
ED50 (functional)	= 12 mg kg-1	The effect of the compound on ataxia in mice following oral administration	ChEMBL.	7265119
ED50 (functional)	= 12 mg kg-1	Effect on pupil dilation was measured in mice upon oral administration	ChEMBL.	7265119
ED50 (functional)	= 12 mg kg-1	The effect of the compound on ataxia in mice following oral administration	ChEMBL.	7265119
ED50 (functional)	> 81 mg kg-1	Antidepressant activity by determining the decreased exploratory activity in mice upon oral administration	ChEMBL.	7265119
ED50 (functional)	> 81 mg kg-1	Antidepressant activity by determining the decreased exploratory activity in mice upon oral administration	ChEMBL.	7265119
ED50 (functional)	= 200 mg kg-1	The effect of the compound on 24-hour mortality in mice following oral administration	ChEMBL.	7265119
ED50 (functional)	= 200 mg kg-1	The effect of the compound on 24-hour mortality in mice following oral administration	ChEMBL.	7265119
ED50 (functional)	> 324 mg kg-1	The effect of the compound on excitement was measured in mice following oral administration	ChEMBL.	7265119
ED50 (functional)	> 324 mg kg-1	The effect of the compound on electroshock protection in mice following oral administration	ChEMBL.	7265119
ED50 (functional)	> 324 mg kg-1	The effect of the compound on excitement was measured in mice following oral administration	ChEMBL.	7265119
ED50 (functional)	> 324 mg kg-1	The effect of the compound on electroshock protection in mice following oral administration	ChEMBL.	7265119

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: CHEMBL113681

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 188903