TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.461 | Formula: C24H24N2
H donors: 0 H acceptors: 0 LogP: 4.71 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CN1CCC(CC1)n1cccc1C#Cc1ccccc1
InChi: 1S/C24H24N2/c1-3-8-21(9-4-1)13-14-23-12-7-17-26(23)24-15-18-25(19-16-24)20-22-10-5-2-6-11-22/h1-12,17,24H,15-16,18-20H2
InChiKey: LGKGAIBCFWVOCC-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	dopamine receptor D3	Starlite/ChEMBL	References
Bos taurus	Dopamine D1 receptor	Starlite/ChEMBL	References
Homo sapiens	dopamine receptor D2	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
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
Onchocerca volvulus		Dopamine D1 receptor	446 aa	359 aa	21.4 %
Schistosoma japonicum	ko:K04145 dopamine receptor D2, putative	Dopamine D1 receptor	446 aa	373 aa	27.1 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Dopamine D1 receptor	446 aa	393 aa	32.3 %
Brugia malayi	hypothetical protein	dopamine receptor D3	400 aa	392 aa	19.9 %
Loa Loa (eye worm)	hypothetical protein	Dopamine D1 receptor	446 aa	370 aa	24.3 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Dopamine D1 receptor	446 aa	398 aa	33.9 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine D1 receptor	446 aa	371 aa	34.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Zinc finger RanBP2 type	0.0129	0.3347	0.3347
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.3347	0.3347
Trypanosoma brucei	hypothetical protein, conserved	0.0129	0.3347	0.5
Onchocerca volvulus		0.0129	0.3347	0.3347
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0364	1	1
Entamoeba histolytica	hypothetical protein	0.0024	0.0358	0.5
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3347	0.3347
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3347	0.3347
Loa Loa (eye worm)	hypothetical protein	0.005	0.11	0.11
Echinococcus granulosus	SWI:SNF matrix associated	0.0364	1	1
Loa Loa (eye worm)	brahma associated protein	0.0364	1	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0364	1	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0129	0.3347	0.3347
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3347	0.3347
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3347	0.3347
Schistosoma mansoni	hypothetical protein	0.0364	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0024	0.0358	0.0358
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.3347	0.3347
Schistosoma mansoni	fusion	0.0129	0.3347	0.3347
Onchocerca volvulus		0.005	0.11	0.11
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0129	0.3347	0.5
Echinococcus multilocularis	zinc finger protein Ran binding	0.0129	0.3347	0.3347
Chlamydia trachomatis	SWIB complex protein	0.0364	1	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0364	1	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0364	1	1
Entamoeba histolytica	hypothetical protein	0.0024	0.0358	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0129	0.3347	0.5
Schistosoma mansoni	hypothetical protein	0.0129	0.3347	0.3347
Plasmodium vivax	hypothetical protein, conserved	0.0364	1	0.5
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0364	1	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0364	1	0.5
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0129	0.3347	0.5
Brugia malayi	hypothetical protein	0.0024	0.0358	0.0358
Leishmania major	hypothetical protein, conserved	0.0129	0.3347	0.5
Schistosoma mansoni	hypothetical protein	0.0024	0.0358	0.0358
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0364	1	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0129	0.3347	0.3347
Trypanosoma cruzi	WLM domain containing protein, putative	0.0129	0.3347	0.5
Schistosoma mansoni	hypothetical protein	0.0364	1	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0129	0.3347	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0364	1	1
Leishmania major	hypothetical protein, conserved	0.0129	0.3347	0.5
Entamoeba histolytica	hypothetical protein	0.0024	0.0358	0.5
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0364	1	1
Onchocerca volvulus		0.0129	0.3347	0.3347
Loa Loa (eye worm)	hypothetical protein	0.0121	0.3105	0.3105
Brugia malayi	brahma associated protein 60 kDa	0.0364	1	1
Onchocerca volvulus		0.0129	0.3347	0.3347
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0129	0.3347	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0129	0.3347	0.3347
Brugia malayi	SWIB/MDM2 domain containing protein	0.0364	1	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0129	0.3347	0.3347
Schistosoma mansoni	hypothetical protein	0.0113	0.2895	0.2895
Chlamydia trachomatis	DNA topoisomerase I	0.0364	1	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0024	0.0358	0.0358
Schistosoma mansoni	transcription factor LCR-F1	0.0024	0.0358	0.0358
Trypanosoma cruzi	hypothetical protein, conserved	0.0129	0.3347	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.3347	0.3347
Onchocerca volvulus		0.0129	0.3347	0.3347
Schistosoma mansoni	brg-1 associated factor	0.0364	1	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.3347	0.3347
Trypanosoma cruzi	hypothetical protein, conserved	0.0129	0.3347	0.5
Leishmania major	hypothetical protein, conserved	0.0129	0.3347	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0129	0.3347	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0121	0.3105	0.3105
Schistosoma mansoni	RNA binding protein	0.0129	0.3347	0.3347
Schistosoma mansoni	hypothetical protein	0.0364	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0129	0.3347	0.5
Leishmania major	hypothetical protein, conserved	0.0129	0.3347	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0129	0.3347	0.5
Echinococcus multilocularis	ring and YY1 binding protein	0.0129	0.3347	0.3347
Entamoeba histolytica	hypothetical protein	0.0024	0.0358	0.5
Brugia malayi	N-terminal motif family protein	0.0121	0.3105	0.3105
Echinococcus granulosus	zinc finger protein Ran binding	0.0129	0.3347	0.3347
Schistosoma mansoni	hypothetical protein	0.0113	0.2895	0.2895
Echinococcus granulosus	ring and YY1 binding protein	0.0129	0.3347	0.3347
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0129	0.3347	0.3347
Leishmania major	hypothetical protein, conserved	0.0129	0.3347	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0129	0.3347	0.5
Onchocerca volvulus		0.0364	1	1
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.11	0.11
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0364	1	1
Echinococcus multilocularis	geminin	0.0113	0.2895	0.2895
Trypanosoma cruzi	WLM domain containing protein, putative	0.0129	0.3347	0.5
Echinococcus granulosus	geminin	0.0113	0.2895	0.2895
Echinococcus multilocularis	SWI:SNF matrix associated	0.0364	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0129	0.3347	0.3347
Echinococcus multilocularis	SWI:SNF matrix associated	0.0364	1	1
Schistosoma mansoni	zinc finger protein	0.0129	0.3347	0.3347
Brugia malayi	YY1-associated factor 2	0.0129	0.3347	0.3347
Echinococcus granulosus	tumor protein p63	0.0343	0.9417	0.9417
Echinococcus multilocularis	tumor protein p63	0.0343	0.9417	0.9417

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3300 nM	Displacement of [3H]-spiperone from human Dopamine receptor D4.4 expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 3300 nM	Displacement of [3H]-spiperone from human Dopamine receptor D4.4 expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 8300 nM	Displacement of [3H]-spiperone from human Dopamine receptor D2S expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 8300 nM	Displacement of [3H]-spiperone from human Dopamine receptor D2S expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 8700 nM	Displacement of [3H]-spiperone from human Dopamine receptor D3 expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 8700 nM	Displacement of [3H]-spiperone from human Dopamine receptor D3 expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 10000 nM	Displacement of [3H]-spiperone from human Dopamine receptor D2L expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 10000 nM	Displacement of [3H]-spiperone from human Dopamine receptor D2L expressed in CHO cells	ChEMBL.	10560741
Ki (binding)	= 16000 nM	Displacement of [3H]-SCH-23,390 from bovine striatal membrane Dopamine receptor D1	ChEMBL.	10560741
Ki (binding)	= 16000 nM	Displacement of [3H]-SCH-23,390 from bovine striatal membrane Dopamine receptor D1	ChEMBL.	10560741

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: CHEMBL104092

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 174124