TDR Targets

Basic information

Technical information

TDR Targets ID: 289598
Name: N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)-3-p iperidin-1-ylpropanamide
MW: 367.465 | Formula: C20H21N3O2S
H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc2c(n1)c(=O)c1c(s2)cccc1)CCN1CCCCC1
InChi: 1S/C20H21N3O2S/c24-18(10-13-23-11-4-1-5-12-23)21-17-9-8-16-19(22-17)20(25)14-6-2-3-7-15(14)26-16/h2-3,6-9H,1,4-5,10-13H2,(H,21,22,24)
InChiKey: WNHDOFVMJQNDOF-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-(10-oxothiochromeno[3,2-b]pyridin-2-yl)-3-(1-piperidyl)propanamide
N-(10-oxo-2-thiochromeno[3,2-b]pyridinyl)-3-(1-piperidyl)propanamide
N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-yl-propanamide
N-(10-ketothiochromeno[3,2-b]pyridin-2-yl)-3-piperidino-propionamide
N-(10-oxothiochromeno[2,3-e]pyridin-2-yl)-3-piperidin-1-ylpropanamide
N-(10-oxothiochromeno[2,3-e]pyridin-2-yl)-3-(1-piperidyl)propanamide
N-(10-oxo-2-thiochromeno[2,3-e]pyridinyl)-3-(1-piperidyl)propanamide
N-(10-ketothiochromeno[2,3-e]pyridin-2-yl)-3-piperidino-propionamide
N-(10-oxothiochromeno[2,3-e]pyridin-2-yl)-3-piperidin-1-yl-propanamide
NCI60_025026
NSC671012

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
Mycobacterium ulcerans	DNA polymerase IV	0.0107	0.5152	0.5
Trypanosoma brucei	DNA polymerase eta, putative	0.0107	0.5152	1
Schistosoma mansoni	DNA polymerase eta	0.0107	0.5152	0.3842
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0107	0.5152	0.3842
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.5156	0.6861
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0107	0.5152	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0107	0.5152	0.7501
Toxoplasma gondii	LsmAD domain-containing protein	0.0055	0.1413	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma brucei	unspecified product	0.0107	0.5152	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.5152	0.6853
Trypanosoma brucei	unspecified product	0.0074	0.2754	0.3587
Trichomonas vaginalis	DNA polymerase eta, putative	0.0107	0.5152	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0107	0.5152	0.5
Schistosoma mansoni	hypothetical protein	0.0174	1	1
Trypanosoma cruzi	hypothetical protein	0.0077	0.3002	0.4249
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.2127	0.1308
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0131	0.6868	0.6022
Leishmania major	DNA polymerase eta, putative	0.0107	0.5152	1
Mycobacterium ulcerans	DNA polymerase IV	0.0107	0.5152	0.5
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0107	0.5152	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.5152	1
Schistosoma mansoni	hypothetical protein	0.0174	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0131	0.6868	1
Echinococcus multilocularis	geminin	0.0174	1	1
Loa Loa (eye worm)	Ulp1 protease	0.0077	0.3002	0.2912
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0107	0.5152	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0107	0.5152	1
Echinococcus granulosus	dna polymerase eta	0.0107	0.5152	0.3842
Echinococcus multilocularis	dna polymerase eta	0.0107	0.5152	0.3842
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0107	0.5152	1
Leishmania major	DNA polymerase kappa, putative	0.0107	0.5152	1
Echinococcus granulosus	sentrin specific protease 8	0.0077	0.3002	0.1111
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.5156	0.6861
Giardia lamblia	DINP protein human, muc B family	0.0107	0.5152	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0074	0.2754	0.3587
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0131	0.6868	1
Trypanosoma brucei	unspecified product	0.0074	0.2754	0.3587
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.1413	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0107	0.5152	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0107	0.5152	0.3842
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0107	0.5152	1
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0077	0.3002	0.1111
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.5152	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0055	0.1413	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0107	0.5152	1
Brugia malayi	hypothetical protein	0.0055	0.1413	0.2057
Brugia malayi	TAR-binding protein	0.0065	0.2127	0.3096
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.5156	0.7507
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.2127	0.3096
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0107	0.5152	0.6853
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.1413	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0131	0.6868	0.6022
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0107	0.5152	0.3842
Loa Loa (eye worm)	RNA binding protein	0.0065	0.2127	0.1308
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0077	0.3002	0.437
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.2127	0.1308
Brugia malayi	RNA binding protein	0.0065	0.2127	0.3096
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0125	0.6439	0.5477
Echinococcus granulosus	dna polymerase kappa	0.0107	0.5152	0.3842
Brugia malayi	ImpB/MucB/SamB family protein	0.0107	0.5152	0.7501
Schistosoma mansoni	hypothetical protein	0.0073	0.271	0.0741
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.271	0.3946
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0107	0.5152	0.3842
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0107	0.5156	0.7507
Loa Loa (eye worm)	hypothetical protein	0.0073	0.271	0.2378
Echinococcus multilocularis	dna polymerase kappa	0.0107	0.5152	0.3842
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.5152	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0074	0.2754	0.3587
Trypanosoma brucei	DNA polymerase kappa, putative	0.0074	0.2754	0.3587
Echinococcus multilocularis	sentrin specific protease 8	0.0077	0.3002	0.1111

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-6.386	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)	-5.41	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
GI50 (functional)	-5.009	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)	-5	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)	-4.991	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)	-4.909	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)	-4.846	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.816	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)	-4.736	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)	-4.665	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.553	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	= 0.41 uM	Compound was evaluated for cytotoxicity against non small lung cancer HOP-92 cell line	ChEMBL.	No reference
IC50 (functional)	= 0.41 uM	Compound was evaluated for cytotoxicity against non small lung cancer HOP-92 cell line	ChEMBL.	No reference
IC50 (functional)	= 2.56 uM	Compound was evaluated for cytotoxicity against leukemic MOLT-4 cell lines	ChEMBL.	No reference
IC50 (functional)	= 2.56 uM	Compound was evaluated for cytotoxicity against leukemic MOLT-4 cell lines	ChEMBL.	No reference
IC50 (functional)	= 8.31 uM	Compound was evaluated for cytotoxicity against colon SW-620 cell line	ChEMBL.	No reference
IC50 (functional)	= 8.31 uM	Compound was evaluated for cytotoxicity against colon SW-620 cell line	ChEMBL.	No reference
IC50 (functional)	= 15.9 uM	Compound was evaluated for cytotoxicity against breast cancer MCF-7 cell lines	ChEMBL.	No reference
IC50 (functional)	= 15.9 uM	Compound was evaluated for cytotoxicity against breast cancer MCF-7 cell lines	ChEMBL.	No reference
IC50 (functional)	= 23.2 uM	Compound was evaluated for cytotoxicity against ovarian carcinoma SCOV-3 cell line	ChEMBL.	No reference
IC50 (functional)	= 23.2 uM	Compound was evaluated for cytotoxicity against ovarian carcinoma SCOV-3 cell line	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: 383031

Bibliographic References

No literature references available for this target.

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Detailed information for compound 289598