TDR Targets

Basic information

Technical information

TDR Targets ID: 1647128
Name: N-(3-chlorophenyl)-6,7-dimethoxy-2-thiophen-2 -ylquinazolin-4-amine
MW: 397.878 | Formula: C20H16ClN3O2S
H donors: 1 H acceptors: 2 LogP: 5.36 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2nc(nc(c2cc1OC)Nc1cccc(c1)Cl)c1cccs1
InChi: 1S/C20H16ClN3O2S/c1-25-16-10-14-15(11-17(16)26-2)23-20(18-7-4-8-27-18)24-19(14)22-13-6-3-5-12(21)9-13/h3-11H,1-2H3,(H,22,23,24)
InChiKey: CVTAVAFYPBIYGH-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-(3-chlorophenyl)-6,7-dimethoxy-2-(2-thienyl)quinazolin-4-amine
N-(3-chlorophenyl)-6,7-dimethoxy-2-(2-thienyl)-4-quinazolinamine
(3-chlorophenyl)-[6,7-dimethoxy-2-(2-thienyl)quinazolin-4-yl]amine
N-(3-chlorophenyl)-6,7-dimethoxy-2-thiophen-2-yl-quinazolin-4-amine
6-dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quinazoline
NSC723418

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
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0103	0.1363	0.1332
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0052	0.0369	0.0335
Entamoeba histolytica	protein kinase rad3, putative	0.0103	0.1363	0.1332
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0052	0.0369	0.0335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0435	0.7821	0.7821
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0103	0.1363	0.1332
Loa Loa (eye worm)	FKBP5 protein	0.0052	0.0369	0.0335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.5091	0.5091
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0035	0.0035	0.0035
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0547	1	1
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0052	0.0369	0.0335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0407	0.727	0.727
Schistosoma mansoni	immunophilin	0.0045	0.0228	0.0194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0324	0.565	0.565
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.5091	0.5091
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0052	0.0369	1
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0052	0.0369	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.0906	0.0873
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0327	0.5713	0.5713
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0035	0.0035	0.0035
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0035	0.0035	0.0035
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0068	0.0675	0.0642
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0435	0.7821	0.7821
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0052	0.0369	0.0335
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0052	0.0369	0.0335
Leishmania major	fk506-binding protein 1-like protein	0.0052	0.0369	0.0335
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0547	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0115	0.1593	0.2153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0183	0.292	0.292
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0183	0.292	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0327	0.5713	0.5713
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0183	0.292	0.2895
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0103	0.1363	0.1332
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0052	0.0369	0.0369
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0052	0.0369	0.0335
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0547	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0183	0.292	0.292
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0547	1	1
Toxoplasma gondii	FATC domain-containing protein	0.0103	0.1363	0.1835
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0435	0.7821	0.7821
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0035	0.0035	0.0035
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0183	0.292	0.2895
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0103	0.1363	0.1332
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0183	0.292	0.2895
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0052	0.0369	0.0335
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0035	0.0035	0.0035
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.0906	0.0906
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0183	0.292	0.2895
Onchocerca volvulus		0.0035	0.0035	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.2206	0.2206
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0324	0.565	0.565
Trichomonas vaginalis	fk506-binding protein, putative	0.0052	0.0369	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1519	0.1489
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0355	0.6263	0.6263
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0035	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0675	0.0642
Loa Loa (eye worm)	phosphatidylinositol 3	0.0183	0.292	0.2895
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0052	0.0369	0.0335
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0183	0.292	0.2895
Schistosoma mansoni	immunophilin	0.0052	0.0369	0.0335
Echinococcus multilocularis	serine protein kinase ATM	0.0103	0.1363	0.1332
Loa Loa (eye worm)	phosphatidylinositol 3	0.0547	1	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0547	1	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0228	0.0194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.0046	0.0011
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.0046	0.0011
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0183	0.292	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0467	0.8442	0.8442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0035	0.0035
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0035	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0035	0.0035	0.0035
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0259	0.4385	0.4366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0435	0.7821	0.7821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0035	0.0035
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0052	0.0369	0.0335
Schistosoma mansoni	immunophilin	0.0052	0.0369	0.0335
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0103	0.1363	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0103	0.1363	0.1363
Onchocerca volvulus		0.0035	0.0035	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.51	0.51
Echinococcus multilocularis	fk506 binding protein	0.0052	0.0369	0.0335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0407	0.727	0.727
Trichomonas vaginalis	immunophilin, putative	0.0052	0.0369	0.0369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0046	0.0011
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0183	0.292	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1363	0.1332
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0035	0.0035	0.0035
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0435	0.7829	0.7822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.51	0.51
Schistosoma mansoni	hypothetical protein	0.008	0.0906	0.0873
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0052	0.0369	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0103	0.1363	0.1332
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0369	0.0335
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0052	0.0369	0.0369
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0369	0.0335
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0035	0.0035	0.0035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0407	0.727	0.727
Entamoeba histolytica	hypothetical protein	0.0103	0.1363	0.1332
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0052	0.0369	0.0335
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.0046	0.0011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0183	0.292	0.292
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0103	0.1363	0.1332
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0183	0.292	0.2895
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0103	0.1363	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.5091	0.5091
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0547	1	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0052	0.0369	0.0335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.51	0.51
Trypanosoma cruzi	target of rapamycin kinase 3	0.0435	0.7829	0.7822
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0227	0.3772	0.375
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0052	0.0369	0.0335
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.008	0.0906	0.0873
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0035	0.0035	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0103	0.1363	0.1363
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0183	0.292	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0228	0.0194
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0547	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0035	0.0035	0.0035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0068	0.0675	0.0675
Giardia lamblia	GTOR	0.0547	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0183	0.292	0.292
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.011	0.0075
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0327	0.5713	0.5713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0407	0.727	0.727
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0295	0.51	0.51
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0407	0.727	0.727
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0035	0.0035	0.0035
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0035	0.0035	0.0035
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.011	0.0075
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0547	1	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0228	0.0194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0183	0.292	0.292
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0407	0.727	0.727
Echinococcus granulosus	serine protein kinase ATM	0.0103	0.1363	0.1332
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0052	0.0369	0.0335
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0103	0.1363	0.1332
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0675	0.0675
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0052	0.0369	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0435	0.7821	0.7821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0547	1	1
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1593	0.1563
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0547	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0115	0.1593	0.1593
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.008	0.0906	0.0873
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0052	0.0369	0.0335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0103	0.1363	0.1363
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.0369	0.0335
Leishmania major	peptidylprolyl isomerase-like protein	0.0052	0.0369	0.0335
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0035	0.0035	0.0035
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0547	1	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0547	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0407	0.727	0.727
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0435	0.7829	0.7822
Brugia malayi	FAT domain containing protein	0.008	0.0906	0.0873
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0407	0.727	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0367	0.6493	0.6493
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0103	0.1363	0.1332

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.429	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.263	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.26	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.105	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.043	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (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: CHEMBL2005646

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 1647128