Detailed information for compound 1649366

Basic information

Technical information
  • TDR Targets ID: 1649366
  • Name: methyl 3-(propylcarbamoyl)naphthalene-2-carbo xylate
  • MW: 271.311 | Formula: C16H17NO3
  • H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)c1cc2ccccc2cc1C(=O)OC
  • InChi: 1S/C16H17NO3/c1-3-8-17-15(18)13-9-11-6-4-5-7-12(11)10-14(13)16(19)20-2/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)
  • InChiKey: UGYSKLCFHZSDRU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(oxo-propylaminomethyl)-2-naphthalenecarboxylic acid methyl ester
  • 3-(propylcarbamoyl)naphthalene-2-carboxylic acid methyl ester
  • AIDS-133759
  • AIDS133759
  • Methyl 3-((propylamino)carbonyl)-2-naphthoate
  • NSC630318
  • NCI60_009848

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
Onchocerca volvulus 0.0029 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0391 0.1762
Schistosoma mansoni protein kinase 0.0063 0.0554 0.2496
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0063 0.0554 0.0617
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2218 1
Brugia malayi Cam kinase protein 1 0.0063 0.0554 0.2496
Brugia malayi hypothetical protein 0.0029 0.0156 0.0705
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0062 0.0539 0.1855
Toxoplasma gondii lysine-tRNA ligase 0.0046 0.0355 0.0308
Echinococcus granulosus solute carrier family 22 0.0029 0.0156 0.0705
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0063 0.0554 0.2496
Echinococcus multilocularis solute carrier family 22 0.0029 0.0156 0.0705
Brugia malayi major facilitator superfamily protein 0.0029 0.0156 0.0705
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0156 0.0705
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Echinococcus multilocularis solute carrier family 22 0.0029 0.0156 0.0705
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0029 0.0156 0.2954
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Loa Loa (eye worm) hypothetical protein 0.0062 0.0539 0.2429
Echinococcus multilocularis solute carrier family 22 0.0029 0.0156 0.0705
Trichomonas vaginalis sugar transporter, putative 0.0064 0.0563 0.1973
Trypanosoma brucei THT1 - hexose transporter, putative 0.0064 0.0563 0.8107
Schistosoma mansoni protein kinase 0.0063 0.0554 0.2496
Loa Loa (eye worm) hypothetical protein 0.0034 0.021 0.0946
Echinococcus multilocularis synaptic vesicle 2 protein 0.0029 0.0156 0.0705
Mycobacterium ulcerans integral membrane transport protein 0.0029 0.0156 0.2954
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0391 0.1762
Onchocerca volvulus 0.0029 0.0156 0.5
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0039 0.0274 1
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0072 0.0658 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0063 0.0554 0.0617
Loa Loa (eye worm) sugar transporter 0.0029 0.0156 0.0705
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0063 0.0554 0.2496
Onchocerca volvulus 0.0029 0.0156 0.5
Echinococcus granulosus synaptic vesicle 2 protein 0.0029 0.0156 0.0705
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0062 0.0539 0.2429
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0072 0.0658 1
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0226 0.1383
Plasmodium vivax lysine--tRNA ligase, putative 0.0046 0.0355 0.0201
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.004 0.0289 0.0641
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0156 0.0705
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0062 0.0539 0.2429
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0062 0.0539 0.9253
Schistosoma mansoni protein kinase 0.0063 0.0554 0.2496
Schistosoma mansoni sugar transporter 0.0029 0.0156 0.0705
Mycobacterium ulcerans sugar transporter 0.0029 0.0156 0.2954
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0391 0.1762
Loa Loa (eye worm) hypothetical protein 0.005 0.0404 0.1821
Loa Loa (eye worm) hypothetical protein 0.0063 0.0554 0.2496
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0063 0.0554 0.0617
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0063 0.0554 0.2496
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.0554 0.2496
Schistosoma mansoni glucose transport protein 0.0206 0.2218 1
Trypanosoma cruzi hexose transporter, putative 0.0064 0.0563 0.8107
Onchocerca volvulus 0.0029 0.0156 0.5
Trypanosoma cruzi hexose transporter, putative 0.0064 0.0563 0.8107
Echinococcus granulosus Sugar transporter ERD6 protein 0.0029 0.0156 0.0705
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0063 0.0554 0.7919
Trypanosoma brucei THT1 - hexose transporter, putative 0.0064 0.0563 0.8107
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0391 0.1762
Treponema pallidum prolyl-tRNA synthetase 0.0022 0.0073 0.5
Onchocerca volvulus 0.0029 0.0156 0.5
Onchocerca volvulus 0.0029 0.0156 0.5
Schistosoma mansoni glucose transporter 0.0029 0.0156 0.0705
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0063 0.0554 0.0404
Loa Loa (eye worm) sugar transporter 0.0206 0.2218 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0029 0.0156 0.5
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0039 0.0274 1
Onchocerca volvulus 0.0029 0.0156 0.5
Onchocerca volvulus 0.0029 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0355 0.1599
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0156 0.0705
Leishmania major glucose transporter, lmgt3 0.0064 0.0563 0.8107
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Schistosoma mansoni sugar transporter 0.0029 0.0156 0.0705
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0029 0.0156 0.0705
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0333 0.3695 0.3595
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0025 0.0115 0.0517
Trichomonas vaginalis glucose transporter, putative 0.0064 0.0563 0.1973
Trichomonas vaginalis conserved hypothetical protein 0.0206 0.2218 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0062 0.0539 0.2429
Schistosoma mansoni lysyl-tRNA synthetase 0.0046 0.0355 0.1599
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0046 0.0355 0.3046
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0046 0.0355 0.395
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0072 0.0658 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0046 0.0355 0.0961
Plasmodium vivax CDK-related protein kinase 6, putative 0.0875 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Leishmania major glucose transporter, lmgt1 0.0064 0.0563 0.8107
Schistosoma mansoni glucose transport protein 0.0206 0.2218 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0029 0.0156 0.2954
Plasmodium falciparum calcium-dependent protein kinase 5 0.0063 0.0554 0.0404
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Brugia malayi Sugar transporter family protein 0.0029 0.0156 0.0705
Echinococcus multilocularis General substrate transporter 0.0177 0.1881 0.8479
Trypanosoma cruzi hexose transporter 0.0064 0.0563 0.8107
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Chlamydia trachomatis lysine--tRNA ligase 0.0046 0.0355 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0206 0.2218 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0063 0.0554 0.2496
Onchocerca volvulus 0.0029 0.0156 0.5
Plasmodium falciparum calcium-dependent protein kinase 2 0.0063 0.0554 0.0404
Onchocerca volvulus 0.0029 0.0156 0.5
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0063 0.0554 0.2496
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0063 0.0554 0.0404
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0072 0.0658 1
Brugia malayi major facilitator superfamily protein 0.0029 0.0156 0.0705
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0029 0.0156 0.0705
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0072 0.0658 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0062 0.0539 0.2429
Leishmania major protein kinase, putative 0.0063 0.0554 0.7919
Giardia lamblia Lysyl-tRNA synthetase 0.0046 0.0355 0.5182
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0046 0.0355 1
Plasmodium vivax proline--tRNA ligase, putative 0.0072 0.0658 0.051
Entamoeba histolytica protein kinase, putative 0.0063 0.0554 1
Echinococcus granulosus lysyl tRNA synthetase 0.0046 0.0355 0.1599
Leishmania major glucose transporter/membrane transporter D2, putative 0.0064 0.0563 0.8107
Trichomonas vaginalis glucose transporter, putative 0.0064 0.0563 0.1973
Loa Loa (eye worm) hypothetical protein 0.0062 0.0539 0.2429
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0062 0.0539 0.2429
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0062 0.0539 1
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0046 0.0355 0.395
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2218 1
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0206 0.2218 1
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0062 0.0539 0.2429
Echinococcus granulosus solute carrier family 22 0.0029 0.0156 0.0705
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Trichomonas vaginalis CAMK family protein kinase 0.0063 0.0554 0.1927
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.021 0.0946
Echinococcus granulosus calcium dependent protein kinase 0.0059 0.0508 0.2292
Plasmodium falciparum lysine--tRNA ligase 0.0046 0.0355 0.0201
Plasmodium falciparum calcium-dependent protein kinase 1 0.0063 0.0554 0.0404
Schistosoma mansoni sugar transporter 0.0029 0.0156 0.0705
Onchocerca volvulus 0.0029 0.0156 0.5
Plasmodium falciparum hexose transporter 0.0206 0.2218 0.2094
Plasmodium falciparum mitogen-activated protein kinase 2 0.0333 0.3695 0.3595
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2218 1
Trypanosoma brucei glucose transporter 2A 0.0064 0.0563 0.8107
Plasmodium vivax calcium-dependent protein kinase, putative 0.0063 0.0554 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0563 0.1973
Echinococcus multilocularis lysyl tRNA synthetase 0.0046 0.0355 0.1599
Onchocerca volvulus 0.0029 0.0156 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0064 0.0563 0.1973
Leishmania major glucose transporter, lmgt2 0.0064 0.0563 0.8107
Giardia lamblia Prolyl-tRNA synthetase 0.0062 0.0539 1
Onchocerca volvulus 0.0029 0.0156 0.5
Toxoplasma gondii facilitative glucose transporter GT1 0.0206 0.2218 0.3201
Brugia malayi Sugar transporter family protein 0.0029 0.0156 0.0705
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0063 0.0554 0.2496
Entamoeba histolytica protein kinase, putative 0.0063 0.0554 1
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0156 0.0705
Leishmania major lysyl-tRNA synthetase, putative 0.0046 0.0355 0.395
Plasmodium falciparum calcium-dependent protein kinase 3 0.0063 0.0554 0.0404
Trichomonas vaginalis sugar transporter, putative 0.0064 0.0563 0.1973
Onchocerca volvulus Putative transporter 0.0029 0.0156 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Onchocerca volvulus 0.0029 0.0156 0.5
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0046 0.0355 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.0554 0.2496
Toxoplasma gondii protein kinase, putative 0.0582 0.6596 1
Plasmodium vivax hexose transporter 0.0206 0.2218 0.2094
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0063 0.0554 0.0404
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0063 0.0554 0.2496
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Plasmodium falciparum proline--tRNA ligase 0.0072 0.0658 0.051
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0333 0.3695 0.5495
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.0554 0.2496
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.0554 0.2496
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Trypanosoma brucei THT1 - hexose transporter, putative 0.0064 0.0563 0.8107
Schistosoma mansoni hypothetical protein 0.0206 0.2218 1
Plasmodium falciparum protein kinase 7 0.0582 0.6596 0.6542
Trypanosoma brucei glucose transporter 1E 0.0064 0.0563 0.8107
Echinococcus granulosus solute carrier family 22 0.0029 0.0156 0.0705
Trypanosoma cruzi hexose transporter, putative 0.0064 0.0563 0.8107
Onchocerca volvulus 0.0029 0.0156 0.5
Echinococcus multilocularis solute carrier family 22 0.0029 0.0156 0.0705
Echinococcus granulosus General substrate transporter 0.0177 0.1881 0.8479
Brugia malayi Sugar transporter family protein 0.0206 0.2218 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0206 0.2218 1
Schistosoma mansoni sugar transporter 0.0029 0.0156 0.0705
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0206 0.2218 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0063 0.0554 0.2496
Trypanosoma brucei glucose transporter, putative 0.0064 0.0563 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0064 0.0563 0.1973
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0705
Brugia malayi lysyl-tRNA synthetase 0.0046 0.0355 0.1599
Onchocerca volvulus 0.0029 0.0156 0.5
Echinococcus granulosus solute carrier family 22 0.0029 0.0156 0.0705
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0072 0.0658 0.0779
Schistosoma mansoni hypothetical protein 0.0034 0.021 0.0946
Schistosoma mansoni lysyl-tRNA synthetase 0.0046 0.0355 0.1599
Brugia malayi hypothetical protein 0.0029 0.0156 0.0705
Brugia malayi hypothetical protein 0.0029 0.0156 0.0705
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0156 0.0705
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0206 0.2218 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.0063 0.0554 0.0404
Schistosoma mansoni glucose transport protein 0.0206 0.2218 1
Echinococcus multilocularis calcium dependent protein kinase 0.0059 0.0508 0.2292

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.233 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) -4.228 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) -4.107 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 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 NCI-H23 Non-Small Cell Lung 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
GI50 (functional) -4 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 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 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

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

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.