Detailed information for compound 1316632
Basic information
Technical information
- TDR Targets ID: 1316632
- Name: N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5-p iperidin-4-ylpyrazole-4-carboxamide hydrochlo ride
- MW: 445.385 | Formula: C23H26Cl2N4O
-
H donors: 2
H acceptors: 2
LogP: 5.03
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)NC(=O)c1cnn(c1C1CCNCC1)c1ccc(c(c1)C)C.Cl
- InChi: 1S/C23H25ClN4O.ClH/c1-15-3-8-20(13-16(15)2)28-22(17-9-11-25-12-10-17)21(14-26-28)23(29)27-19-6-4-18(24)5-7-19;/h3-8,13-14,17,25H,9-12H2,1-2H3,(H,27,29);1H
- InChiKey: PQHZXTJHLQKISL-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5-(4-piperidyl)pyrazole-4-carboxamide hydrochloride
- N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5-(4-piperidinyl)-4-pyrazolecarboxamide hydrochloride
- N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-yl-pyrazole-4-carboxamide hydrochloride
- MLS000731347
- N-(4-chlorophenyl)-1-(3,4-dimethylphenyl)-5-piperidin-4-yl-1H-pyrazole-4-carboxamide
- SMR000309622
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Brugia malayi | hypothetical protein | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Echinococcus granulosus | survival motor neuron protein 1 | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Echinococcus multilocularis | survival motor neuron protein 1 | Get druggable targets OG5_132873 | All targets in OG5_132873 |
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Toxoplasma gondii | intraflagellar transport protein 172, putative | glycoprotein hormones, alpha polypeptide | 116 aa | 94 aa | 26.6 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Entamoeba histolytica | carbonic anhydrase, putative | 0.0233 | 0.7153 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0101 | 0 | 0.5 |
| Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.0249 | 0.8027 | 0.5 |
| Echinococcus multilocularis | survival motor neuron protein 1 | 0.0286 | 1 | 1 |
| Schistosoma mansoni | carbonic anhydrase II (carbonate dehydratase II) | 0.0249 | 0.8027 | 1 |
| Trypanosoma cruzi | carbonic anhydrase-like protein, putative | 0.0249 | 0.8027 | 0.5 |
| Trypanosoma brucei | carbonic anhydrase-like protein | 0.0249 | 0.8027 | 0.5 |
| Schistosoma mansoni | carbonic anhydrase II (carbonate dehydratase II) | 0.0249 | 0.8027 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0286 | 1 | 1 |
| Mycobacterium leprae | CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) | 0.0233 | 0.7153 | 0.5 |
| Mycobacterium tuberculosis | Beta-carbonic anhydrase CanB | 0.0132 | 0.1703 | 1 |
| Leishmania major | carbonic anhydrase-like protein | 0.0249 | 0.8027 | 1 |
| Mycobacterium ulcerans | carbonic anhydrase | 0.0233 | 0.7153 | 1 |
| Echinococcus granulosus | survival motor neuron protein 1 | 0.0286 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0101 | 0 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.4467 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.6891 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 16.5113 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 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 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | 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: CHEMBL1465090
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.