Detailed information for compound 1632602

Basic information

Technical information
  • TDR Targets ID: 1632602
  • Name: ethyl 2-[3-(4-aminophenyl)-7-hydroxy-2-oxochr oman-4-yl]acetate
  • MW: 341.358 | Formula: C19H19NO5
  • H donors: 2 H acceptors: 3 LogP: 2.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CC1C(c2ccc(cc2)N)C(=O)Oc2c1ccc(c2)O
  • InChi: 1S/C19H19NO5/c1-2-24-17(22)10-15-14-8-7-13(21)9-16(14)25-19(23)18(15)11-3-5-12(20)6-4-11/h3-9,15,18,21H,2,10,20H2,1H3
  • InChiKey: AYRWMMUSPBHMTB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 2-[3-(4-aminophenyl)-7-hydroxy-2-oxo-chroman-4-yl]acetate
  • 2-[3-(4-aminophenyl)-7-hydroxy-2-oxo-4-chromanyl]acetic acid ethyl ester
  • 2-[3-(4-aminophenyl)-7-hydroxy-2-keto-chroman-4-yl]acetic acid ethyl ester
  • ethyl 2-[3-(4-aminophenyl)-7-hydroxy-2-oxo-chroman-4-yl]ethanoate
  • Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate
  • NSC667231
  • NCI60_023405
  • AIDS-144485
  • AIDS144485

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) MH2 domain-containing protein 0.0008 0.0014 0.0014
Brugia malayi MH1 domain containing protein 0.0008 0.0014 0.0014
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2141 1 0.5
Loa Loa (eye worm) Smad1 0.0008 0.0014 0.0014
Brugia malayi Smad1 0.0008 0.0014 0.0014
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2141 1 0.5
Echinococcus multilocularis smad 0.0008 0.0014 0.0014
Onchocerca volvulus 0.0051 0.0213 0.0213
Schistosoma mansoni smad 0.0008 0.0014 0.0014
Brugia malayi MH1 domain containing protein 0.0008 0.0014 0.0014
Echinococcus multilocularis lysosomal protective protein 0.2141 1 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0014 0.0014
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2141 1 0.5
Brugia malayi MH2 domain containing protein 0.0123 0.055 0.055
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0014 0.0014
Echinococcus multilocularis microtubule associated protein 2 0.0773 0.3594 0.3594
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0014 0.0014
Echinococcus granulosus microtubule associated protein 2 0.0773 0.3594 0.3594
Brugia malayi MH2 domain containing protein 0.0008 0.0014 0.0014
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1929 0.9009 0.9009
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.055 0.055
Echinococcus granulosus smad 0.0008 0.0014 0.0014
Schistosoma mansoni microtubule-associated protein tau 0.0773 0.3594 0.3594
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.2141 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.2141 1 0.5
Echinococcus granulosus lysosomal protective protein 0.2141 1 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0014 0.0014
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.2141 1 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0014 0.0014
Echinococcus granulosus Smad4 0.0008 0.0014 0.0014
Schistosoma mansoni smad1 5 8 and 0.0008 0.0014 0.0014
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0213 0.0213
Schistosoma mansoni Smad4 0.0008 0.0014 0.0014
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2141 1 0.5
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.2141 1 0.5
Echinococcus multilocularis tumor protein p63 0.0347 0.1602 0.1602
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1929 0.9009 0.9009
Brugia malayi MH2 domain containing protein 0.0008 0.0014 0.0014
Echinococcus multilocularis Smad4 0.0008 0.0014 0.0014
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0051 0.0213 0.0213
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0212 0.0966 0.0966
Schistosoma mansoni smad1 5 8 and 0.0008 0.0014 0.0014
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.2141 1 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.2141 1 0.5
Echinococcus granulosus tumor protein p63 0.0347 0.1602 0.1602
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.055 0.055
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.2141 1 1
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.2141 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6 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) -4.247 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 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 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 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 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.