TDR Targets

Basic information

Technical information

TDR Targets ID: 1552520
Name: N-phenylbenzenecarboximidoyl cyanide
MW: 206.243 | Formula: C14H10N2
H donors: 0 H acceptors: 1 LogP: 3.36 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(=Nc1ccccc1)c1ccccc1
InChi: 1S/C14H10N2/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H
InChiKey: NPUCOHNCJJHBCA-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

N-Phenylbenzimidoyl cyanide
2-phenyl-2-phenyliminoacetonitrile
2-phenyl-2-phenylimino-acetonitrile
2-phenyl-2-phenylimino-ethanenitrile
4686-14-0
(2Z)-Phenyl(phenylimino)ethanenitrile
NSC29001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No 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
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	zinc finger protein	0.0064	0.229	0.2257
Brugia malayi	Cytochrome P450 family protein	0.0033	0.0635	0.1026
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0135	0.619	1
Brugia malayi	nuclear receptor NHR-67	0.0064	0.229	0.3699
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0135	0.619	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0135	0.619	0.6173
Schistosoma mansoni	coup transcription factor	0.0135	0.619	0.6173
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0071	0.2707	0.4374
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0023	0.0042	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0064	0.229	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0135	0.619	0.6173
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2506	0.4049
Brugia malayi	conserved hypotetical protein	0.0064	0.229	0.3699
Brugia malayi	nuclear receptor RXR	0.0064	0.229	0.3699
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0135	0.619	0.6173
Brugia malayi	nuclear receptor NHR-88	0.0064	0.229	0.3699
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0135	0.619	0.6173
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0064	0.229	0.3699
Loa Loa (eye worm)	steroid hormone receptor	0.0135	0.619	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0135	0.619	0.6173
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.619	0.6173
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0064	0.229	0.3699
Schistosoma mansoni	nuclear receptor nhr-48	0.0064	0.229	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Echinococcus multilocularis	ecdysone induced protein 78C	0.0135	0.619	0.6173
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0135	0.619	1
Schistosoma mansoni	nuclear receptor	0.0064	0.229	0.2257
Brugia malayi	ecdysteroid receptor	0.0135	0.619	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0135	0.619	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0135	0.619	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0135	0.619	0.6173
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0135	0.619	0.6173
Leishmania major	cytochrome p450-like protein	0.0022	0	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0071	0.2707	0.2676
Brugia malayi	ecdysone receptor	0.0064	0.229	0.3699
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2707	0.4374
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0135	0.619	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2707	0.4374
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0078	0.3069	0.4958
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0135	0.619	0.6173
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0135	0.619	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Brugia malayi	nuclear hormone receptor	0.0064	0.229	0.3699
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Brugia malayi	Nuclear hormone receptor-like 1	0.0135	0.619	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0135	0.619	0.6173
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0135	0.619	0.6173
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0135	0.619	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0064	0.229	0.2257
Brugia malayi	nuclear hormone receptor	0.0135	0.619	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0071	0.2707	0.4374
Brugia malayi	Nuclear hormone receptor E75	0.0064	0.229	0.3699
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0064	0.229	0.2257
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0064	0.229	0.2257
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0064	0.229	0.3699
Schistosoma mansoni	nuclear receptor	0.0064	0.229	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0135	0.619	1
Brugia malayi	nuclear receptor NHR-88	0.0135	0.619	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0135	0.619	0.6173
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2707	0.4374
Onchocerca volvulus	Protein ultraspiracle homolog	0.0135	0.619	1
Brugia malayi	hypothetical protein	0.0064	0.229	0.3699
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0071	0.2707	0.2676
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.619	0.6173
Schistosoma mansoni	voltage-gated potassium channel	0.0085	0.346	0.3433
Brugia malayi	photoreceptor-specific nuclear receptor	0.0135	0.619	1
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.229	0.2257
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0135	0.619	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0135	0.619	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0135	0.619	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0071	0.2707	0.4374
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.229	0.2257
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0135	0.619	0.6173
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Onchocerca volvulus	Bile acid receptor homolog	0.0135	0.619	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0135	0.619	1
Brugia malayi	hypothetical protein	0.0071	0.2707	0.4374
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Onchocerca volvulus		0.0135	0.619	1
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0064	0.229	0.3699
Brugia malayi	hypothetical protein	0.0071	0.2707	0.4374
Schistosoma mansoni	nuclear hormone receptor	0.0135	0.619	0.6173
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0135	0.619	0.6173
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0064	0.229	0.2257
Loa Loa (eye worm)	DR-78	0.0064	0.229	0.3699
Echinococcus multilocularis	geminin	0.0205	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0135	0.619	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.229	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0135	0.619	0.6173
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0064	0.229	0.3699
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0135	0.619	0.6173
Brugia malayi	tailless protein	0.0064	0.229	0.3699
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0135	0.619	0.6173
Brugia malayi	nuclear receptor RXR	0.0071	0.2707	0.4374
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0064	0.229	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0071	0.2707	0.2676
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0135	0.619	1
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0078	0.3069	0.304
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0078	0.3069	0.4958
Echinococcus granulosus	nuclear receptor nhr 48	0.0064	0.229	0.2257
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0135	0.619	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0135	0.619	0.6173
Brugia malayi	Nuclear hormone receptor E75	0.0064	0.229	0.3699
Loa Loa (eye worm)	nuclear hormone receptor	0.0064	0.229	0.3699
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2707	0.4374
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.229	0.2257
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0071	0.2707	0.2676
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Brugia malayi	hypothetical protein	0.0064	0.229	0.3699
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0064	0.229	0.2257
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0135	0.619	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2707	0.4374
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0135	0.619	0.6173
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0135	0.619	0.6173
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0135	0.619	0.6173
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0135	0.619	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0042	0.0068
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0135	0.619	0.6173
Brugia malayi	steroid hormone receptor	0.0135	0.619	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0135	0.619	0.6173
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0078	0.3069	0.304
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0073	0.2789	0.5
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0064	0.229	0.3699
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0135	0.619	1
Schistosoma mansoni	voltage-gated potassium channel	0.0085	0.346	0.3433
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0135	0.619	0.6173
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0073	0.2789	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0135	0.619	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0064	0.229	0.2257
Echinococcus multilocularis	FTZ F1 alpha	0.0135	0.619	0.6173
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0064	0.229	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0064	0.229	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0064	0.229	0.3699
Echinococcus granulosus	FTZ F1 alpha	0.0135	0.619	0.6173
Trypanosoma brucei	cytochrome P450, putative	0.0022	0	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0135	0.619	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0033	0.0635	0.1026
Loa Loa (eye worm)	hypothetical protein	0.0135	0.619	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0135	0.619	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0135	0.619	0.6173
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0064	0.229	0.2257

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0041 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1881156

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1552520