TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 250.338 | Formula: C17H18N2
H donors: 1 H acceptors: 0 LogP: 3.2 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)N1c2ccccc2[C@H]2[C@@H]1CCNC2
InChi: 1S/C17H18N2/c1-2-6-13(7-3-1)19-16-9-5-4-8-14(16)15-12-18-11-10-17(15)19/h1-9,15,17-18H,10-12H2/t15-,17-/m0/s1
InChiKey: CJWPRFAPIUPOSX-RDJZCZTQSA-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
Rattus norvegicus	Dopamine receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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 receptor	475 aa	398 aa	34.2 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Dopamine receptor	475 aa	405 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0521	0.2014	1
Entamoeba histolytica	carbonic anhydrase, putative	0.1027	0.4078	1
Echinococcus multilocularis	carbonic anhydrase II	0.012	0.0379	0.1884
Schistosoma mansoni	polycystin 1-related	0.014	0.046	0.1127
Mycobacterium ulcerans	carbonic anhydrase	0.1027	0.4078	0.4048
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0526	0.2034	0.2508
Schistosoma mansoni	rab6-interacting	0.014	0.046	0.1127
Loa Loa (eye worm)	carbonic anhydrase 3	0.012	0.0379	0.8252
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0158	0.0785
Plasmodium falciparum	telomerase reverse transcriptase	0.0255	0.0929	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0083	0.0412
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0934	0.37	1
Schistosoma mansoni	jun-related protein	0.0075	0.0194	0.0475
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0066	0.0158	0.1214
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0066	0.0158	0.1214
Plasmodium falciparum	LCCL domain-containing protein	0.014	0.046	0.4947
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.0261	0.1295
Brugia malayi	hypothetical protein	0.0069	0.0169	0.0636
Onchocerca volvulus		0.014	0.046	0.0823
Schistosoma mansoni	lipoxygenase	0.0269	0.0985	0.2414
Loa Loa (eye worm)	doublecortin family protein	0.014	0.046	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.014	0.046	0.2283
Echinococcus multilocularis	lipoxygenase domain containing protein	0.014	0.046	0.2283
Mycobacterium ulcerans	DNA polymerase I	0.0056	0.0118	0.0067
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0083	0.0312
Echinococcus multilocularis	jun protein	0.0091	0.0261	0.1295
Brugia malayi	Doublecortin family protein	0.014	0.046	0.1729
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0158	0.0785
Plasmodium falciparum	5'-3' exonuclease, N-terminal resolvase-like domain, putative	0.004	0.0051	0.0552
Schistosoma mansoni	lipoxygenase	0.0521	0.2014	0.4937
Toxoplasma gondii	RNA-directed DNA polymerase	0.0255	0.0929	1
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1978	0.7956	1
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0066	0.0158	0.1699
Echinococcus granulosus	carbonic anhydrase II	0.012	0.0379	0.1884
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0083	0.1806
Leishmania major	carbonic anhydrase family protein, putative	0.1027	0.4078	1
Mycobacterium ulcerans	hypothetical protein	0.0113	0.0351	0.0301
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1027	0.4078	1
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0075	0.0193	0.0957
Schistosoma mansoni	hypothetical protein	0.0075	0.0194	0.0475
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.012	0.0379	0.3736
Echinococcus multilocularis	RUN	0.014	0.046	0.2283
Echinococcus granulosus	Polycystic kidney disease protein	0.014	0.046	0.2283
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.0261	0.1295
Trichomonas vaginalis	conserved hypothetical protein	0.2479	1	0.5
Echinococcus granulosus	jun protein	0.0091	0.0261	0.1295
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0158	0.0388
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0041	0.0205
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.012	0.0379	0.1427
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0158	0.0388
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0083	0.0412
Schistosoma mansoni	rab6-interacting	0.014	0.046	0.1127
Wolbachia endosymbiont of Brugia malayi	DNA polymerase I	0.0056	0.0118	0.5
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.012	0.0379	0.093
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.048	0.1845	0.2269
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0255	0.0929	1
Leishmania major	carbonic anhydrase-like protein	0.012	0.0379	0.0815
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0158	0.0594
Mycobacterium leprae	Probable transmembrane transport protein	0.048	0.1845	0.436
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0083	0.0412
Echinococcus multilocularis	lipoxygenase domain containing protein	0.014	0.046	0.2283
Schistosoma mansoni	hypothetical protein	0.014	0.046	0.1127
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0066	0.0158	0.0107
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0066	0.0158	0.1214
Trypanosoma brucei	telomerase reverse transcriptase	0.0255	0.0929	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0158	0.0388
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0158	0.3438
Schistosoma mansoni	hypothetical protein	0.0038	0.0041	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0236	0.5138
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0066	0.0158	0.1699
Leishmania major	telomerase reverse transcriptase, putative	0.0255	0.0929	0.218
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0158	0.0388
Giardia lamblia	Telomerase catalytic subunit	0.0255	0.0929	0.5
Onchocerca volvulus	Putative sulfate transporter	0.0415	0.1582	0.4001
Echinococcus granulosus	RUN	0.014	0.046	0.2283
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.012	0.0379	0.1427
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.012	0.0379	0.8252
Loa Loa (eye worm)	hypothetical protein	0.014	0.046	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.014	0.046	0.2283
Plasmodium vivax	multidomain scavenger receptor, putative	0.014	0.046	0.4652
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0041	0.0205
Mycobacterium ulcerans	integral membrane transporter	0.0066	0.0158	0.0107
Trichomonas vaginalis	conserved hypothetical protein	0.2479	1	0.5
Brugia malayi	bZIP transcription factor family protein	0.0091	0.0261	0.0981
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0075	0.0193	0.0957
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0521	0.2014	1
Schistosoma mansoni	loxhd1	0.014	0.046	0.1127
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0158	0.3438
Trypanosoma brucei	carbonic anhydrase-like protein	0.012	0.0379	0.3736
Schistosoma mansoni	carbonic anhydrase	0.1027	0.4078	1
Brugia malayi	hypothetical protein	0.014	0.046	0.1729
Onchocerca volvulus		0.014	0.046	0.0823
Brugia malayi	RNA binding protein	0.0066	0.0158	0.0594
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0083	0.0204
Mycobacterium tuberculosis	Probable DNA polymerase I PolA	0.0056	0.0118	0.0084
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0255	0.0929	1
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0981	0.3888	0.4854
Loa Loa (eye worm)	hypothetical protein	0.014	0.046	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0083	0.0412
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.012	0.0379	0.093
Chlamydia trachomatis	sulfate transporter	0.0066	0.0158	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.014	0.046	0.2283
Onchocerca volvulus		0.0415	0.1582	0.4001
Plasmodium vivax	sulfate transporter, putative	0.0066	0.0158	0.1214
Treponema pallidum	ATP-binding protein (ylxH-1)	0.0887	0.3506	1
Brugia malayi	hypothetical protein	0.0038	0.0041	0.0156
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.012	0.0379	0.3736
Brugia malayi	TAR-binding protein	0.0066	0.0158	0.0594
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0041	0.0101
Brugia malayi	Telomerase reverse transcriptase	0.0679	0.2659	1
Brugia malayi	hypothetical protein	0.014	0.046	0.1729
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0158	0.0388
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0158	0.3438
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0255	0.0929	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0083	0.0204
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0083	0.0204
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0066	0.0158	0.0107

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	> 32 mg kg-1	Inhibition of d-amphetamine induced stereotypy in rats; i.p. treatment 1 hr before amphetamine.	ChEMBL.	2876102
ED50 (functional)	> 32 mg kg-1	Inhibition of d-amphetamine induced stereotypy in rats; i.p. treatment 5 hr before amphetamine.	ChEMBL.	2876102
IC50 (binding)	> 1000 nM	Affinity for Dopamine receptors in the rat striatum using [3H]-spiroperidol displacement.	ChEMBL.	2876102
IC50 (binding)	> 1000 nM	Affinity for Dopamine receptors in the rat striatum using [3H]-spiroperidol displacement.	ChEMBL.	2876102

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: CHEMBL66777

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 107549