Detailed information for compound 1252752
Basic information
Technical information
- TDR Targets ID: 1252752
- Name: N-[2-(4-chlorophenyl)ethyl]pyrazolo[1,5-a]pyr idine-2-carboxamide
- MW: 299.755 | Formula: C16H14ClN3O
-
H donors: 1
H acceptors: 2
LogP: 3.26
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)CCNC(=O)c1cc2n(n1)cccc2
- InChi: 1S/C16H14ClN3O/c17-13-6-4-12(5-7-13)8-9-18-16(21)15-11-14-3-1-2-10-20(14)19-15/h1-7,10-11H,8-9H2,(H,18,21)
- InChiKey: BEAMRMDSEVJUTI-UHFFFAOYSA-N
Network
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Synonyms
- N-[2-(4-chlorophenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
- SMR000309649
- MLS000731374
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | lysine (K)-specific demethylase 4E | Starlite/ChEMBL | No references |
| Homo sapiens | transient receptor potential cation channel, subfamily V, member 1 | Starlite/ChEMBL | No references |
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
| Brugia malayi | Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X | geminin, DNA replication inhibitor | 209 aa | 176 aa | 27.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0.0203 | 0.5 |
| Echinococcus granulosus | Transcription factor JmjC domain containing protein | 0.0071 | 0.2805 | 0.2805 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.31 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.0203 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.31 | 0.31 |
| Mycobacterium tuberculosis | Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) | 0.0023 | 0.0203 | 0.5 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.0203 | 0.5 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.31 | 1 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0203 | 0.0203 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.31 | 0.31 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.31 | 0.31 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.31 | 0.31 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.0203 | 0.0655 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.31 | 0.31 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0203 | 0.0203 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0023 | 0.0203 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.31 | 0.31 |
| Brugia malayi | jmjC domain containing protein | 0.0071 | 0.2805 | 0.9049 |
| Brugia malayi | jmjC domain containing protein | 0.0071 | 0.2805 | 0.9049 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease | 0.0023 | 0.0203 | 1 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0071 | 0.2805 | 0.2805 |
| Schistosoma mansoni | hypothetical protein | 0.0205 | 1 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.31 | 1 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease, putative | 0.0023 | 0.0203 | 1 |
| Schistosoma mansoni | jumonji domain containing protein | 0.0071 | 0.2805 | 0.2805 |
| Echinococcus multilocularis | geminin | 0.0205 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0023 | 0.0203 | 0.5 |
| Trypanosoma brucei | apurinic/apyrimidinic endonuclease, putative | 0.0023 | 0.0203 | 1 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.31 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.31 | 0.31 |
| Toxoplasma gondii | exonuclease III APE | 0.0023 | 0.0203 | 1 |
| Schistosoma mansoni | jumonji/arid domain-containing protein | 0.0071 | 0.2805 | 0.2805 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.0203 | 0.0655 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0023 | 0.0203 | 0.0203 |
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0023 | 0.0203 | 0.0203 |
| Echinococcus multilocularis | lysine specific demethylase 5A | 0.0071 | 0.2805 | 0.2805 |
| Echinococcus multilocularis | Transcription factor, JmjC domain containing protein | 0.0071 | 0.2805 | 0.2805 |
| Loa Loa (eye worm) | jmjC domain-containing protein | 0.0071 | 0.2805 | 0.9049 |
| Plasmodium falciparum | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0203 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.0203 | 0.5 |
| Plasmodium vivax | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0203 | 1 |
| Entamoeba histolytica | exodeoxyribonuclease III, putative | 0.0023 | 0.0203 | 0.5 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.31 | 1 |
| Echinococcus granulosus | lysine specific demethylase 5A | 0.0071 | 0.2805 | 0.2805 |
| Leishmania major | apurinic/apyrimidinic endonuclease-redox protein | 0.0023 | 0.0203 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.31 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.1836 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 6.4836 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Potentiators of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.1995 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.9125 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 9.1583 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Agonists of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 19.9526 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 |
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: CHEMBL1342432
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.