Detailed information for compound 1436169
Basic information
Technical information
- TDR Targets ID: 1436169
- Name: 8-(2-methoxycarbonylphenoxy)carbonyl-3a,4,5,9 b-tetrahydro-3H-cyclopenta[c]quinoline-4-carb oxylic acid
- MW: 393.389 | Formula: C22H19NO6
-
H donors: 2
H acceptors: 4
LogP: 3.74
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)C(=O)O
- InChi: 1S/C22H19NO6/c1-28-22(27)15-5-2-3-8-18(15)29-21(26)12-9-10-17-16(11-12)13-6-4-7-14(13)19(23-17)20(24)25/h2-6,8-11,13-14,19,23H,7H2,1H3,(H,24,25)
- InChiKey: RYNSFZVUENDLBC-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 8-[(2-methoxycarbonylphenoxy)-oxomethyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
- 8-(2-carbomethoxyphenoxy)carbonyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
- STOCK3S-61191
- MLS-0091961
- MLS-0091961.0001
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Dual specificity protein phosphatase 6 | Starlite/ChEMBL | No references |
| Homo sapiens | protein tyrosine phosphatase, non-receptor type 7 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | protein tyrosine phosphatase, non-receptor type 7 | 434 aa | 400 aa | 24.0 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Loa Loa (eye worm) | fibronectin type III domain-containing protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase zeta | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | Receptor type tyrosine protein phosphatase O | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | Receptor type tyrosine protein phosphatase O | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Schistosoma mansoni | non-receptor protein-tyrosine phosphatase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase F | 0.0011 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Trypanosoma brucei | protein tyrosine phosphatase 1 | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | protein tyrosine phosphatase | 0.0011 | 1 | 1 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | protein tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Trypanosoma cruzi | tyrosine specific protein phosphatase, putative | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0011 | 1 | 0.5 |
| Giardia lamblia | Protein tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase zeta | 0.0011 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | pcd6 interacting protein-related | 0.0011 | 1 | 1 |
| Schistosoma mansoni | protein tyrosine phosphatase | 0.0011 | 1 | 1 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Schistosoma mansoni | protein tyrosine phosphatase n11 (shp2) | 0.0011 | 1 | 1 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | rgs-gaip interacting protein gipc | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | dual specificity protein phosphatase CDC14B | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | Receptor type tyrosine protein phosphatase O | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase 1 | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | Receptor type tyrosine protein phosphatase O | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Entamoeba histolytica | protein tyrosine phosphatase, putative | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Trichomonas vaginalis | pten, drome, putative | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Trypanosoma cruzi | tyrosine specific protein phosphatase, putative | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | protein-tyrosine phosphatase non-receptor type nt5 | 0.0011 | 1 | 1 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | protein-tyrosine phosphatase n9 | 0.0011 | 1 | 1 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Echinococcus multilocularis | hypothetical protein | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | Receptor type tyrosine protein phosphatase O | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | protein tyrosine phosphatase | 0.0011 | 1 | 1 |
| Schistosoma mansoni | receptor protein tyrosine phosphatase r (pcptp1) | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Echinococcus multilocularis | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | protein tyrosine phosphatase n9 | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase zeta | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Brugia malayi | hypothetical protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Dual specificity protein phosphatase CDC14B | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0011 | 1 | 1 |
| Trypanosoma cruzi | tyrosine specific protein phosphatase, putative | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase 1 | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | 0.0011 | 1 | 0.5 | |
| Loa Loa (eye worm) | protein-tyrosine-phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | Receptor type tyrosine protein phosphatase O | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | receptor protein tyrosine phosphatase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase H | 0.0011 | 1 | 0.5 |
| Leishmania major | protein-tyrosine phosphatase 1-like protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Schistosoma mansoni | protein tyrosine phosphatase non-receptor type nt1 | 0.0011 | 1 | 1 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0011 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Entamoeba histolytica | Pten 3-phosphoinositide phosphatase, putative | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | receptor protein tyrosine phosphatase n (ia2) | 0.0011 | 1 | 1 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | protein tyrosine phosphatase n9 | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Brugia malayi | Protein-tyrosine phosphatase containing protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | receptor protein tyrosine phosphatase n (ia2) | 0.0011 | 1 | 1 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0011 | 1 | 1 |
| Brugia malayi | protein-tyrosine phosphatase Lar-like precursor, putative | 0.0011 | 1 | 0.5 |
| Echinococcus multilocularis | tyrosine protein phosphatase non receptor type | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Leishmania major | tyrosine specific protein phosphatase, putative | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 4.1 G protein, putative homolog | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0011 | 1 | 0.5 |
| Onchocerca volvulus | 0.0011 | 1 | 0.5 | |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase zeta | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | protein-tyrosine phosphatase | 0.0011 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | = 2.8 um | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study. (Class of assay: confirmatory) [Related pubchem assays: 521 ] | ChEMBL. | No reference |
| IC50 (binding) | = 17 uM | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversible and slow-binding inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1054, AID1055, AID425, AID553, AID566] | ChEMBL. | No reference |
| IC50 (functional) | = 17.17 uM | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1052, AID1661, AID2085, AID2679, AID425, AID553, AID566] | ChEMBL. | No reference |
| IC50 (binding) | = 28 um | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay for SAR Study. (Class of assay: confirmatory) [Related pubchem assays: 786, 583 ] | ChEMBL. | No reference |
| IC50 (binding) | = 93.6 um | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (binding) | = 115 um | PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. (Class of assay: confirmatory) [Related pubchem assays: 1072 ] | 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.
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
- ChEMBL: CHEMBL1606543
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.