TDR Targets

Basic information

Technical information

TDR Targets ID: 423331
Name: 2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phen yl]ethanamine
MW: 297.782 | Formula: C17H16ClN3
H donors: 2 H acceptors: 1 LogP: 3.24 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NCC(c1ccc(cc1)Cl)c1ccc(cc1)c1c[nH]nc1
InChi: 1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)
InChiKey: HWVGILTYGZFGLR-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

[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amine

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
Trichomonas vaginalis	cyclin D, putative	0.0062	0.1305	0.1645
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.009	0.3199	0.3199
Trypanosoma brucei	mitotic cyclin 6	0.0119	0.5186	1
Echinococcus multilocularis	cyclin b3	0.0062	0.1305	0.1305
Onchocerca volvulus		0.0119	0.5186	1
Brugia malayi	nuclear receptor RXR	0.0047	0.0343	0.0343
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.009	0.3199	0.3199
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0541	0.0541
Echinococcus granulosus	cyclins	0.0062	0.1305	0.1305
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.009	0.3199	0.3199
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.009	0.3199	0.3199
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.009	0.3199	0.3199
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0574	0.0071
Leishmania major	cyclin	0.0119	0.5186	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0343	0.0343
Brugia malayi	Nuclear hormone receptor-like 1	0.0047	0.0343	0.0343
Schistosoma mansoni	retinoic acid receptor RXR	0.009	0.3199	0.3199
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.009	0.3199	0.3199
Loa Loa (eye worm)	hypothetical protein	0.0049	0.048	0.048
Trichomonas vaginalis	cyclins, putative	0.0072	0.2029	0.3203
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.009	0.3199	0.3199
Onchocerca volvulus	Protein ultraspiracle homolog	0.009	0.3199	0.6169
Toxoplasma gondii	AGC kinase	0.0051	0.0574	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0343	0.0343
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.009	0.3199	0.3199
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.005	0.0541	0.0541
Brugia malayi	Protein kinase domain containing protein	0.0051	0.0574	0.0574
Echinococcus granulosus	ecdysone induced protein 78C	0.009	0.3199	0.3199
Trichomonas vaginalis	cyclin B, putative	0.0119	0.5186	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.009	0.3199	0.3199
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Plasmodium falciparum	cyclin	0.0062	0.1305	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.009	0.3199	0.3199
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.009	0.3199	0.3199
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0051	0.0574	0.0574
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.009	0.3199	0.3199
Onchocerca volvulus	Bile acid receptor homolog	0.009	0.3199	0.6169
Echinococcus multilocularis	cyclin B3 1	0.0062	0.1305	0.1305
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0047	0.0343	0.0343
Echinococcus multilocularis	cyclins	0.0062	0.1305	0.1305
Brugia malayi	hypothetical protein	0.0047	0.0343	0.0343
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.009	0.3199	0.3199
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0574	0.0071
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.005	0.0541	0.0541
Echinococcus granulosus	cyclins	0.0062	0.1305	0.1305
Brugia malayi	cell division control protein 2 homolog	0.005	0.0541	0.0541
Giardia lamblia	G2/mitotic-specific cyclin B	0.0119	0.5186	1
Echinococcus granulosus	FTZ F1 alpha	0.009	0.3199	0.3199
Echinococcus multilocularis	cyclins	0.0062	0.1305	0.1305
Trichomonas vaginalis	cyclins, putative	0.0119	0.5186	1
Trypanosoma cruzi	cyclin 6, putative	0.0119	0.5186	1
Schistosoma mansoni	nuclear hormone receptor	0.009	0.3199	0.3199
Brugia malayi	nuclear receptor NHR-88	0.009	0.3199	0.3199
Entamoeba histolytica	cyclin, putative	0.0062	0.1305	0.1645
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.009	0.3199	0.3199
Brugia malayi	Nuclear hormone receptor-like 1	0.009	0.3199	0.3199
Echinococcus multilocularis	cyclin B	0.0119	0.5186	0.5186
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0541	0.0541
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0574	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0057	0.1024	0.1024
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.009	0.3199	0.3199
Schistosoma mansoni	thyroid hormone receptor	0.009	0.3199	0.3199
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.005	0.0541	0.8787
Trypanosoma cruzi	cyclin, putative	0.0119	0.5186	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.019	1	1
Brugia malayi	ecdysteroid receptor	0.009	0.3199	0.3199
Entamoeba histolytica	protein kinase, putative	0.0051	0.0574	0.0071
Echinococcus multilocularis	cyclin dependent kinase 1	0.005	0.0541	0.0541
Schistosoma mansoni	cyclin B3	0.019	1	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0051	0.0574	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0343	0.0343
Trichomonas vaginalis	cyclin A, putative	0.0119	0.5186	1
Echinococcus granulosus	cyclin B3 1	0.0062	0.1305	0.1305
Loa Loa (eye worm)	hypothetical protein	0.0119	0.5186	0.5186
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0343	0.0343
Giardia lamblia	Hypothetical protein	0.0062	0.1305	0.1645
Trichomonas vaginalis	cyclin D, putative	0.0062	0.1305	0.1645
Brugia malayi	Steroid receptor seven-up type 2	0.009	0.3199	0.3199
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.009	0.3199	0.3199
Echinococcus multilocularis	cyclin dependent kinase 1	0.005	0.0541	0.0541
Schistosoma mansoni	cyclin B	0.0119	0.5186	0.5186
Trichomonas vaginalis	cyclin B, putative	0.0119	0.5186	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.009	0.3199	0.3199
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0119	0.5186	0.5186
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.009	0.3199	0.3199
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0343	0.0343
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.009	0.3199	0.3199
Echinococcus granulosus	cyclins	0.0062	0.1305	0.1305
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.009	0.3199	0.3199
Echinococcus multilocularis	cyclin dependent kinase 5	0.005	0.0541	0.0541
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Echinococcus multilocularis	cyclins	0.0062	0.1305	0.1305
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.009	0.3199	0.3199
Brugia malayi	photoreceptor-specific nuclear receptor	0.009	0.3199	0.3199
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0119	0.5186	0.5186
Entamoeba histolytica	protein kinase, putative	0.0051	0.0574	0.0071
Echinococcus multilocularis	thyroid hormone receptor alpha	0.009	0.3199	0.3199
Echinococcus granulosus	cyclin dependent kinase 1	0.005	0.0541	0.0541
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.009	0.3199	0.3199
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.009	0.3199	0.3199
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0574	0.0071
Brugia malayi	Protein kinase domain containing protein	0.005	0.0541	0.0541
Echinococcus multilocularis	cyclin dependent kinase	0.005	0.0541	0.0541
Trichomonas vaginalis	cyclin B3, putative	0.0062	0.1305	0.1645
Trichomonas vaginalis	cyclins, putative	0.0062	0.1305	0.1645
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.009	0.3199	0.3199
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0047	0.0343	0.0343
Echinococcus multilocularis	FTZ F1 alpha	0.009	0.3199	0.3199
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0047	0.0343	0.0343
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0574	0.0071
Echinococcus multilocularis	cyclins	0.0062	0.1305	0.1305
Entamoeba histolytica	cyclin, putative	0.0119	0.5186	1
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.019	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.009	0.3199	0.3199
Schistosoma mansoni	RAR-like nuclear receptor	0.009	0.3199	0.3199
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.009	0.3199	0.6169
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Trichomonas vaginalis	cyclin B, putative	0.0062	0.1305	0.1645
Echinococcus granulosus	cyclins	0.0062	0.1305	0.1305
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.009	0.3199	0.3199
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.009	0.3199	0.3199
Schistosoma mansoni	cyclins	0.0062	0.1305	0.1305
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0051	0.0574	0.0071
Echinococcus multilocularis	ecdysone induced protein 78C	0.009	0.3199	0.3199
Echinococcus multilocularis	cyclins	0.0062	0.1305	0.1305
Loa Loa (eye worm)	hypothetical protein	0.0119	0.5186	0.5186
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.009	0.3199	0.3199
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.009	0.3199	0.3199
Echinococcus multilocularis	cyclins	0.0062	0.1305	0.1305
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0119	0.5186	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.009	0.3199	0.3199
Brugia malayi	hypothetical protein	0.0047	0.0343	0.0343
Trichomonas vaginalis	cyclins, putative	0.0119	0.5186	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.009	0.3199	0.3199
Entamoeba histolytica	protein kinase, putative	0.0051	0.0574	0.0071
Trichomonas vaginalis	cyclin B, putative	0.0119	0.5186	1
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.1305	0.1645
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.009	0.3199	0.3199
Entamoeba histolytica	cyclin family protein	0.0062	0.1305	0.1645
Echinococcus granulosus	cyclin B	0.0119	0.5186	0.5186
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.009	0.3199	0.3199
Brugia malayi	steroid hormone receptor	0.009	0.3199	0.3199
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0119	0.5186	1
Echinococcus multilocularis	cyclins	0.0062	0.1305	0.1305
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0574	0.0071
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.009	0.3199	0.3199
Trichomonas vaginalis	cyclins, putative	0.0119	0.5186	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.009	0.3199	0.3199
Trichomonas vaginalis	cyclins, putative	0.0119	0.5186	1
Echinococcus granulosus	cyclin dependent kinase	0.005	0.0541	0.0541
Loa Loa (eye worm)	cyclin domain-containing protein	0.019	1	1
Trichomonas vaginalis	cyclin B, putative	0.0119	0.5186	1
Trypanosoma cruzi	cyclin, putative	0.0119	0.5186	1
Schistosoma mansoni	coup transcription factor	0.009	0.3199	0.3199
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0343	0.0343
Trichomonas vaginalis	AGC family protein kinase	0.0051	0.0574	0.0071
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.009	0.3199	0.3199
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.009	0.3199	0.3199
Echinococcus granulosus	cyclin dependent kinase 5	0.005	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.009	0.3199	0.3199
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0051	0.0574	0.0574
Giardia lamblia	Cyclin A	0.0062	0.1305	0.1645
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.005	0.0541	0.0541
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0047	0.0343	0.0343
Brugia malayi	nuclear hormone receptor	0.009	0.3199	0.3199
Schistosoma mansoni	thyroid hormone receptor	0.009	0.3199	0.3199
Onchocerca volvulus		0.009	0.3199	0.6169
Entamoeba histolytica	cyclin family protein	0.0062	0.1305	0.1645
Plasmodium vivax	protein kinase Crk2	0.005	0.0541	0.5
Echinococcus granulosus	cyclin b3	0.0062	0.1305	0.1305
Loa Loa (eye worm)	steroid hormone receptor	0.009	0.3199	0.3199
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.009	0.3199	0.3199
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.009	0.3199	0.3199
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.009	0.3199	0.3199
Echinococcus granulosus	cyclins	0.0062	0.1305	0.1305

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 31 uM	Inhibition of PKBbeta by radiometric filter binding assay	ChEMBL.	17451234
IC50 (binding)	= 31 uM	Inhibition of PKBbeta by radiometric filter binding assay	ChEMBL.	17451234

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

PubChem: 11312547

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 423331