TDR Targets

Basic information

Technical information

TDR Targets ID: 167080
Name: N-benzyl-4-(7-chloroquinazolin-4-yl)piperazin e-1-carbothioamide
MW: 397.924 | Formula: C20H20ClN5S
H donors: 1 H acceptors: 2 LogP: 3.82 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)ncnc2N1CCN(CC1)C(=S)NCc1ccccc1
InChi: 1S/C20H20ClN5S/c21-16-6-7-17-18(12-16)23-14-24-19(17)25-8-10-26(11-9-25)20(27)22-13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,22,27)
InChiKey: UKIUFHVXOQAYIT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-benzyl-4-(7-chloro-4-quinazolinyl)-1-piperazinecarbothioamide
4-(7-chloroquinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide
4-(7-chloro-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide
N-(benzyl)-4-(7-chloroquinazolin-4-yl)piperazine-1-carbothioamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	platelet-derived growth factor receptor, beta polypeptide	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	beta-lactamase	0.0029	0.1115	0.094
Schistosoma mansoni	vesicular amine transporter	0.0011	0.0193	0.0391
Mycobacterium tuberculosis	Probable lipase LipE	0.0029	0.1115	0.0793
Mycobacterium ulcerans	lipase LipD	0.0029	0.1115	1
Schistosoma mansoni	nephrin	0.0014	0.0344	0.0695
Trypanosoma brucei	DNA polymerase eta, putative	0.0015	0.0414	0.2639
Echinococcus granulosus	tar DNA binding protein	0.0102	0.4943	0.4844
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0029	0.1115	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Schistosoma mansoni	hypothetical protein	0.0029	0.1139	0.2304
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Echinococcus granulosus	beta LACTamase domain containing family member	0.0029	0.1115	0.094
Echinococcus granulosus	dna polymerase eta	0.0015	0.0414	0.0225
Mycobacterium ulcerans	hypothetical protein	0.0029	0.1115	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.0439	0.025
Echinococcus multilocularis	dna polymerase eta	0.0015	0.0414	0.0225
Echinococcus granulosus	twitchin	0.0014	0.0344	0.0153
Brugia malayi	RNA recognition motif domain containing protein	0.0102	0.4943	0.4844
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1115	0.094
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0414	0.0225
Loa Loa (eye worm)	beta-lactamase	0.0029	0.1115	0.094
Mycobacterium tuberculosis	Probable lipase LipD	0.0029	0.1115	0.0793
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0015	0.0414	0.0837
Schistosoma mansoni	tar DNA-binding protein	0.0102	0.4943	1
Echinococcus granulosus	roundabout 2	0.0018	0.0536	0.0349
Entamoeba histolytica	hypothetical protein	0.0029	0.1139	1
Mycobacterium leprae	conserved hypothetical protein	0.0029	0.1115	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Trichomonas vaginalis	D-aminoacylase, putative	0.0029	0.1115	1
Echinococcus multilocularis	neuroglian	0.0014	0.0344	0.0153
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0016	0.0439	0.025
Entamoeba histolytica	hypothetical protein	0.0029	0.1139	1
Mycobacterium tuberculosis	Conserved protein	0.0029	0.1115	0.0793
Mycobacterium tuberculosis	Probable hydrolase	0.0029	0.1115	0.0793
Trypanosoma brucei	DNA polymerase IV, putative	0.0015	0.0414	0.2639
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0029	0.1115	0.0793
Echinococcus multilocularis	roundabout 2	0.0018	0.0536	0.0349
Trichomonas vaginalis	penicillin-binding protein, putative	0.0029	0.1115	1
Loa Loa (eye worm)	RNA binding protein	0.0102	0.4943	0.4844
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0029	0.1115	0.0793
Schistosoma mansoni	transcription factor LCR-F1	0.0029	0.1139	0.2304
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.1115	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0536	0.0349
Onchocerca volvulus		0.004	0.1724	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0184	0.9257	1
Trichomonas vaginalis	esterase, putative	0.0029	0.1115	1
Schistosoma mansoni	tar DNA-binding protein	0.0102	0.4943	1
Mycobacterium tuberculosis	Conserved protein	0.0029	0.1115	0.0793
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.1115	0.2255
Trichomonas vaginalis	penicillin-binding protein, putative	0.0029	0.1115	1
Brugia malayi	TAR-binding protein	0.0102	0.4943	0.4844
Brugia malayi	beta-lactamase family protein	0.0029	0.1115	0.094
Toxoplasma gondii	ABC1 family protein	0.0029	0.1115	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.1115	0.2255
Trichomonas vaginalis	D-aminoacylase, putative	0.0029	0.1115	1
Echinococcus granulosus	dna polymerase kappa	0.0015	0.0414	0.0225
Entamoeba histolytica	hypothetical protein	0.0029	0.1139	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0015	0.0414	0.0225
Schistosoma mansoni	tar DNA-binding protein	0.0102	0.4943	1
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.1115	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0015	0.0414	0.2639
Mycobacterium tuberculosis	Conserved protein	0.0029	0.1115	0.0793
Mycobacterium tuberculosis	Probable esterase LipL	0.0029	0.1115	0.0793
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0029	0.1115	0.094
Entamoeba histolytica	hypothetical protein	0.0029	0.1139	1
Echinococcus granulosus	neuroglian	0.0014	0.0344	0.0153
Schistosoma mansoni	tar DNA-binding protein	0.0102	0.4943	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1115	0.094
Echinococcus multilocularis	tar DNA binding protein	0.0102	0.4943	0.4844
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0015	0.0414	0.0225
Leishmania major	hypothetical protein, conserved	0.0029	0.1115	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0536	0.0349
Trypanosoma brucei	unspecified product	0.0015	0.0414	0.2639
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.1115	0.5
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.004	0.1724	0.1561
Brugia malayi	ImpB/MucB/SamB family protein	0.0015	0.0414	0.0225
Brugia malayi	hypothetical protein	0.0029	0.1139	0.0964
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Giardia lamblia	DINP protein human, muc B family	0.0015	0.0414	0.5
Schistosoma mansoni	survival motor neuron protein	0.004	0.1724	0.3488
Mycobacterium ulcerans	beta-lactamase	0.0029	0.1115	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0015	0.0414	0.0225
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0029	0.1139	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1115	0.094
Echinococcus multilocularis	dna polymerase kappa	0.0015	0.0414	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1115	0.094
Loa Loa (eye worm)	TAR-binding protein	0.0102	0.4943	0.4844
Brugia malayi	beta-lactamase family protein	0.0029	0.1115	0.094
Echinococcus multilocularis	survival motor neuron protein 1	0.0198	1	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0029	0.1115	0.0793
Trichomonas vaginalis	D-aminoacylase, putative	0.0029	0.1115	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0015	0.0414	0.0837
Trypanosoma brucei	DNA polymerase IV, putative	0.0015	0.0414	0.2639
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0029	0.1139	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0198	1	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.0193	0.0391
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.1115	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0385	0.0196
Echinococcus granulosus	survival motor neuron protein 1	0.0198	1	1
Brugia malayi	RNA binding protein	0.0102	0.4943	0.4844
Schistosoma mansoni	cell adhesion molecule	0.0015	0.0385	0.0779
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.0193	0.0391
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Schistosoma mansoni	hypothetical protein	0.004	0.1724	0.3488
Schistosoma mansoni	DNA polymerase eta	0.0015	0.0414	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1115	0.094
Mycobacterium ulcerans	esterase/lipase LipP	0.0029	0.1115	1
Mycobacterium leprae	Probable lipase LipE	0.0029	0.1115	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0385	0.0196
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0029	0.1115	0.094
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0015	0.0414	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1115	0.094
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0029	0.1115	0.094
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0102	0.4943	0.4844
Schistosoma mansoni	tar DNA-binding protein	0.0102	0.4943	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0414	0.2639

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 5.16 uM l-1	Inhibitory concentration against platelet-derived growth factor receptor beta phosphorylation in CHO cells	ChEMBL.	12941321
IC50 (functional)	= 5.16 uM l-1	Inhibitory concentration against platelet-derived growth factor receptor beta phosphorylation in CHO cells	ChEMBL.	12941321

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: 22707450

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 167080