Detailed information for compound 1421364
Basic information
Technical information
- TDR Targets ID: 1421364
- Name: ethyl N-[4-(cyclopropanecarbonylamino)-2,5-di ethoxyphenyl]carbamate
- MW: 336.383 | Formula: C17H24N2O5
-
H donors: 2
H acceptors: 2
LogP: 2.18
Rotable bonds: 11
Rule of 5 violations (Lipinski): 1 - SMILES: CCOc1cc(NC(=O)C2CC2)c(cc1NC(=O)OCC)OCC
- InChi: 1S/C17H24N2O5/c1-4-22-14-10-13(19-17(21)24-6-3)15(23-5-2)9-12(14)18-16(20)11-7-8-11/h9-11H,4-8H2,1-3H3,(H,18,20)(H,19,21)
- InChiKey: LGZQBZYIFNBMOJ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- ethyl N-[4-(cyclopropanecarbonylamino)-2,5-diethoxy-phenyl]carbamate
- N-[4-[(cyclopropyl-oxomethyl)amino]-2,5-diethoxyphenyl]carbamic acid ethyl ester
- N-[4-(cyclopropanecarbonylamino)-2,5-diethoxy-phenyl]carbamic acid ethyl ester
- ethyl N-[4-(cyclopropylcarbonylamino)-2,5-diethoxy-phenyl]carbamate
- ASN 04358938
- Oprea1_609300
- MLS000070195
- SMR000003054
- [4-(Cyclopropanecarbonyl-amino)-2,5-diethoxy-phenyl]-carbamic acid ethyl ester
- Oprea1_730296
- ZINC00415588
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | RecQ helicase-like | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 1 |
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0024 | 0.3711 | 0.5 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 1 | 1 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0024 | 0.3711 | 0.3711 |
| Schistosoma mansoni | DNA helicase recq1 | 0.0024 | 0.3711 | 0.3711 |
| Plasmodium falciparum | ATP-dependent DNA helicase Q1 | 0.0024 | 0.3711 | 0.5 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.3711 | 0.3711 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 1 | 1 |
| Entamoeba histolytica | recQ family DNA helicase | 0.0012 | 0.0141 | 0.0141 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.8578 | 0.5 |
| Schistosoma mansoni | DNA helicase recq5 | 0.0024 | 0.3711 | 0.3711 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 1 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.3711 | 0.3711 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0141 | 0.0000000030455 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 1 |
| Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0024 | 0.3711 | 0.3621 |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.3711 | 0.3621 |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.0012 | 0.0141 | 0.0141 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 1 | 1 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 1 | 1 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 1 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 1 | 1 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 1 | 1 |
| Loa Loa (eye worm) | RecQ helicase | 0.0024 | 0.3711 | 0.3621 |
| Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0012 | 0.0141 | 1 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.8578 | 0.5 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0141 | 0.0141 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 1 | 0.5 |
| Treponema pallidum | ATP-dependent DNA helicase | 0.0012 | 0.0141 | 0.5 |
| Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.3711 | 0.3621 |
| Giardia lamblia | Sgs1 DNA helicase, putative | 0.0024 | 0.3711 | 0.5 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 1 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.1585 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] | ChEMBL. | No reference |
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | 70.7946 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] | 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: CHEMBL1566097
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.