Detailed information for compound 1626294

Basic information

Technical information
  • TDR Targets ID: 1626294
  • Name: N-[3-(2-acetamido-5-methoxyphenyl)-3-hydroxyp ropyl]acetamide
  • MW: 280.32 | Formula: C14H20N2O4
  • H donors: 3 H acceptors: 3 LogP: 0.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)C(CCNC(=O)C)O)NC(=O)C
  • InChi: 1S/C14H20N2O4/c1-9(17)15-7-6-14(19)12-8-11(20-3)4-5-13(12)16-10(2)18/h4-5,8,14,19H,6-7H2,1-3H3,(H,15,17)(H,16,18)
  • InChiKey: FACAUFDMVUCAPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(2-acetamido-5-methoxy-phenyl)-3-hydroxy-propyl]acetamide
  • N-[3-(2-acetamido-5-methoxy-phenyl)-3-hydroxy-propyl]ethanamide
  • NCI60_031864
  • NSC688267

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
Brugia malayi Protein kinase domain containing protein 0.0028 0.0028 0.0968
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0025 0.0013 0.0447
Brugia malayi SH2 domain containing protein 0.0028 0.0028 0.0968
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0037 0.007 0.5
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0028 0.0028 0.0028
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0028 0.0028 0.0028
Echinococcus granulosus voltage gated potassium channel 0.0025 0.0013 0.0013
Onchocerca volvulus 0.0028 0.0028 0.4034
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0026 0.0026
Schistosoma mansoni growth factor receptor-bound protein 0.0043 0.0098 0.0098
Echinococcus multilocularis tyrosine protein kinase shark 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0034 0.0055 0.0055
Mycobacterium tuberculosis Probable esterase LipO 0.0037 0.007 0.5
Onchocerca volvulus 0.0028 0.0028 0.4034
Loa Loa (eye worm) hypothetical protein 0.0043 0.0098 0.0098
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.1213 0.5458 0.5458
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2204 1 1
Mycobacterium tuberculosis Possible esterase LipW 0.0037 0.007 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.005 0.0127 0.0127
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0028 0.0028 0.0028
Schistosoma mansoni nck2/grb4 0.0043 0.0098 0.0098
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2204 1 1
Schistosoma mansoni tyrosine kinase 0.005 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0025 0.0013 0.0013
Mycobacterium tuberculosis Probable esterase LipM 0.0037 0.007 0.5
Brugia malayi SRC-1 0.005 0.0127 0.4332
Onchocerca volvulus 0.0028 0.0028 0.4034
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.005 0.0127 0.0127
Echinococcus granulosus tyrosine protein kinase Src42A 0.005 0.0127 0.0127
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.0033 0.0052 0.0052
Mycobacterium ulcerans hypothetical protein 0.0037 0.007 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0043 0.0098 0.0098
Mycobacterium ulcerans lipase LipU 0.0037 0.007 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0028 0.0028 0.5396
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.008 0.0267 1
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0037 0.007 0.5
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.005 0.0127 0.0127
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.005 0.0127 0.0127
Brugia malayi Sex muscle abnormal protein 5 0.0043 0.0098 0.3363
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0037 0.007 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0028 0.0028 0.0028
Echinococcus multilocularis NCK adaptor protein 0.0043 0.0098 0.0098
Loa Loa (eye worm) TK/ABL protein kinase 0.0028 0.0028 0.0028
Schistosoma mansoni adapter molecule crk 0.0043 0.0098 0.0098
Echinococcus multilocularis tyrosine kinase 0.0028 0.0028 0.0028
Echinococcus multilocularis tyrosine protein kinase Srms 0.0028 0.0028 0.0028
Brugia malayi Protein kinase domain containing protein 0.0028 0.0028 0.0968
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0086 0.0292 1
Entamoeba histolytica hypothetical protein 0.0033 0.0052 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.005 0.0127 0.0127
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0037 0.007 0.5
Mycobacterium leprae Possible lipase LipU 0.0037 0.007 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.005 0.0127 0.0127
Schistosoma mansoni tyrosine kinase 0.1192 0.536 0.536
Echinococcus multilocularis tyrosine protein kinase Blk 0.0028 0.0028 0.0028
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0025 0.0013 0.0013
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0086 0.0292 0.0292
Onchocerca volvulus 0.0028 0.0028 0.4034
Brugia malayi Tyrosine-protein kinase abl-1 0.005 0.0127 0.4332
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0037 0.007 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0043 0.0098 0.0098
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Brugia malayi SH2 domain containing protein 0.0028 0.0028 0.0968
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0034 0.0055 0.0055
Schistosoma mansoni vav2 0.0034 0.0055 0.0055
Mycobacterium ulcerans membrane-bound esterase LipM 0.0037 0.007 0.5
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0028 0.0028 0.0028
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0037 0.007 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0013 0.0013
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0037 0.007 0.5
Echinococcus granulosus tyrosine protein kinase Blk 0.0028 0.0028 0.0028
Echinococcus granulosus tyrosine kinase 0.0028 0.0028 0.0028
Schistosoma mansoni voltage-gated potassium channel 0.0094 0.0329 0.0329
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0043 0.0098 0.0098
Schistosoma mansoni tyrosine kinase 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0074 0.024 0.024
Schistosoma mansoni tyrosine kinase 0.005 0.0127 0.0127
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0025 0.0013 0.0013
Mycobacterium ulcerans esterase/lipase 0.0037 0.007 0.5
Echinococcus granulosus tyrosine protein kinase ABL1 0.0028 0.0028 0.0028
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0086 0.0292 0.0292
Echinococcus granulosus tyrosine protein kinase Srms 0.0028 0.0028 0.0028
Loa Loa (eye worm) SRC-1 0.005 0.0127 0.0127
Echinococcus granulosus NCK adaptor protein 0.0043 0.0098 0.0098
Loa Loa (eye worm) aryl-acylamidase 0.0037 0.007 0.007
Onchocerca volvulus 0.0037 0.007 1
Mycobacterium ulcerans lipase LipH 0.0037 0.007 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.005 0.0127 0.0127
Mycobacterium ulcerans esterase LipO 0.0037 0.007 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.005 0.0127 0.0127
Brugia malayi Protein kinase domain containing protein 0.0028 0.0028 0.0968
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0037 0.007 0.5
Mycobacterium tuberculosis Possible lipase LipU 0.0037 0.007 0.5
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0037 0.007 0.5
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0033 0.0052 0.0052
Brugia malayi Protein kinase domain containing protein 0.0028 0.0028 0.0968
Brugia malayi hypothetical protein 0.0028 0.0028 0.0968
Echinococcus granulosus tyrosine protein kinase Btk29A 0.1213 0.5458 0.5458
Echinococcus granulosus growth factor receptor bound protein 2 0.0043 0.0098 0.0098
Echinococcus multilocularis voltage gated potassium channel 0.0025 0.0013 0.0013
Echinococcus granulosus tyrosine protein kinase Fyn 0.005 0.0127 0.0127
Loa Loa (eye worm) ammd protein 0.0037 0.007 0.007
Onchocerca volvulus 0.0028 0.0028 0.4034
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Echinococcus multilocularis hormone sensitive lipase 0.2204 1 1
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0037 0.007 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0086 0.0292 0.0292
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Schistosoma mansoni tyrosine kinase 0.005 0.0127 0.0127
Echinococcus granulosus c src tyrosine kinase 0.005 0.0127 0.0127
Mycobacterium ulcerans esterase LipC 0.0037 0.007 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.005 0.0127 0.0127
Brugia malayi Variant SH3 domain containing protein 0.0043 0.0098 0.3363
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0037 0.007 0.5
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0033 0.0052 0.0052
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Mycobacterium ulcerans esterase LipW 0.0037 0.007 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.005 0.0127 0.0127
Brugia malayi aryl-acylamidase 0.0037 0.007 0.2401
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.008 0.0267 1
Mycobacterium ulcerans lipase LipI 0.0037 0.007 0.5
Mycobacterium ulcerans lipase/esterase LipN 0.0037 0.007 0.5
Leishmania major hypothetical protein, conserved 0.0037 0.007 0.5
Mycobacterium ulcerans carboxylesterase LipQ 0.0037 0.007 0.5
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0037 0.007 0.5
Loa Loa (eye worm) TK protein kinase 0.0028 0.0028 0.0028
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0037 0.007 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.005 0.0127 0.0127
Echinococcus granulosus tyrosine kinase 0.0028 0.0028 0.0028
Mycobacterium tuberculosis Probable lipase LipH 0.0037 0.007 0.5
Brugia malayi protein-tyrosine kinase 0.0028 0.0028 0.0968
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0037 0.007 0.007
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.005 0.0127 0.0127
Echinococcus multilocularis c src tyrosine kinase 0.005 0.0127 0.0127
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.2204 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Echinococcus multilocularis tyrosine protein kinase Fyn 0.005 0.0127 0.0127
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0013 0.0013
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0043 0.0098 0.0098
Brugia malayi Variant SH3 domain containing protein 0.0034 0.0055 0.188
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0037 0.007 0.5
Echinococcus granulosus tyrosine protein kinase Src64B 0.005 0.0127 0.0127
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Onchocerca volvulus 0.0028 0.0028 0.4034
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Brugia malayi Variant SH3 domain containing protein 0.0043 0.0098 0.3363
Loa Loa (eye worm) hypothetical protein 0.2204 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0094 0.0329 0.0329
Echinococcus granulosus tyrosine protein kinase Fyn 0.005 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Echinococcus multilocularis tyrosine protein kinase Src64B 0.005 0.0127 0.0127
Brugia malayi Protein kinase domain containing protein 0.0028 0.0028 0.0968
Loa Loa (eye worm) TK/FER protein kinase 0.0028 0.0028 0.0028
Mycobacterium ulcerans lipase LipU 0.0037 0.007 0.5
Echinococcus granulosus tyrosine protein kinase shark 0.0028 0.0028 0.0028
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0037 0.007 0.5
Mycobacterium tuberculosis Probable esterase LipC 0.0037 0.007 0.5
Leishmania major ecotin, putative 0.0037 0.007 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0043 0.0098 0.0098
Schistosoma mansoni tyrosine kinase 0.005 0.0127 0.0127
Echinococcus multilocularis tyrosine protein kinase Src42A 0.005 0.0127 0.0127

Activities

Activity type Activity value Assay description Source 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 MDA-N Breast 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 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 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 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
GI50 (functional) -4 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 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 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 SK-MEL-5 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.

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