Detailed information for compound 1876735
Basic information
Technical information
- TDR Targets ID: 1876735
- Name: 2-[(4-methylphenyl)amino]-N-(pyridin-4-ylmeth ylideneamino)acetamide
- MW: 268.314 | Formula: C15H16N4O
-
H donors: 2
H acceptors: 2
LogP: 2.18
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(CNc1ccc(cc1)C)N/N=C/c1ccncc1
- InChi: 1S/C15H16N4O/c1-12-2-4-14(5-3-12)17-11-15(20)19-18-10-13-6-8-16-9-7-13/h2-10,17H,11H2,1H3,(H,19,20)/b18-10+
- InChiKey: AIXOHLPBLQAGLC-VCHYOVAHSA-N
Network
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Synonyms
- 2-[(4-methylphenyl)amino]-N-(4-pyridylmethyleneamino)acetamide
- 2-[(4-methylphenyl)amino]-N-(pyridin-4-ylmethylideneamino)ethanamide
- MLS000709712
- SMR000286579
- BAS 01248652
- p-Tolylamino-acetic acid pyridin-4-ylmethylene-hydrazide
- ZINC00049770
- AG-205/08223004
- STK190501
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
| Homo sapiens | adrenergic, beta, receptor kinase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Brugia malayi | Probable G protein-coupled receptor kinase F19C6.1, putative | 0.0012 | 0.0016 | 0.0016 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Echinococcus granulosus | G protein coupled receptor kinase 1 | 0.01 | 0.5255 | 0.5255 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0012 | 0 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0012 | 0.0016 | 0.0028 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.018 | 1 | 1 |
| Echinococcus multilocularis | G protein coupled receptor kinase 1 | 0.01 | 0.5255 | 0.5255 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Echinococcus multilocularis | beta adrenergic receptor kinase | 0.0112 | 0.594 | 0.594 |
| Entamoeba histolytica | hypothetical protein | 0.0012 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 1 | 1 |
| Trichomonas vaginalis | regulator of G protein signaling 5, rgs5, putative | 0.0012 | 0 | 0.5 |
| Echinococcus granulosus | beta-adrenergic receptor kinase | 0.0112 | 0.594 | 0.594 |
| Echinococcus multilocularis | muscleblind protein | 0.018 | 1 | 1 |
| Echinococcus granulosus | muscleblind protein | 0.018 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0112 | 0.594 | 1 |
| Loa Loa (eye worm) | AGC/GRK/GRK protein kinase | 0.0012 | 0.0016 | 0.0016 |
| Entamoeba histolytica | hypothetical protein | 0.0012 | 0 | 0.5 |
| Loa Loa (eye worm) | AGC/GRK/BARK protein kinase | 0.0112 | 0.594 | 0.594 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0112 | 0.594 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | > 10000 nM | Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay | ChEMBL. | No reference |
| Potency (functional) | 0.2617 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) | 4.1475 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 (binding) | 14.1254 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.929 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] | ChEMBL. | No reference |
| Potency (binding) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | 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 |
|---|---|---|---|
| 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: CHEMBL3196036
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.