Detailed information for compound 1412337
Basic information
Technical information
- TDR Targets ID: 1412337
- Name: N-(2,4-dimethylphenyl)-3-methyl-[1,2,4]triazo lo[4,3-c]quinazolin-5-amine
- MW: 303.361 | Formula: C18H17N5
-
H donors: 1
H acceptors: 3
LogP: 4.87
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccc(c(c1)C)Nc1nc2ccccc2c2n1c(C)nn2
- InChi: 1S/C18H17N5/c1-11-8-9-15(12(2)10-11)19-18-20-16-7-5-4-6-14(16)17-22-21-13(3)23(17)18/h4-10H,1-3H3,(H,19,20)
- InChiKey: AJBXKGNKTUPRMZ-UHFFFAOYSA-N
Network
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Synonyms
- (2,4-dimethylphenyl)-(3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amine
- NCGC00126098-01
- E881-0056
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ubiquitin specific peptidase 1 | 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
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | Chorion peroxidase homolog | 0.0083 | 0.5 | 0.5 |
| Schistosoma mansoni | peroxidasin | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Brugia malayi | Peroxidasin | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | Peroxidase homolog | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | Peroxidase homolog | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Echinococcus multilocularis | peroxidasin | 0.0083 | 0.5 | 0.5 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Echinococcus granulosus | peroxidasin | 0.0083 | 0.5 | 0.5 |
| Brugia malayi | Blistered cuticle protein 3 | 0.0083 | 0.5 | 0.5 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | Peroxidasin homolog | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | 0.0083 | 0.5 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | blistered cuticle protein 3 | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | 0.0083 | 0.5 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Schistosoma mansoni | peroxidasin | 0.0083 | 0.5 | 0.5 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0083 | 0.5 | 0.5 |
| Brugia malayi | Animal haem peroxidase family protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | 0.0083 | 0.5 | 0.5 | |
| Onchocerca volvulus | Dual oxidase homolog | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Onchocerca volvulus | Peroxidasin homolog | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0083 | 0.5 | 0.5 |
| Loa Loa (eye worm) | animal heme peroxidase | 0.0083 | 0.5 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 7.9433 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 19.9526 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) | = 31.6228 um | PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (binding) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | 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: CHEMBL1553085
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.