Detailed information for compound 289598

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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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

Obtained from network model

Ranking Plot


Putative Targets List


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

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

Bibliographic References

No literature references available for this target.

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