Detailed information for compound 170826
Basic information
Technical information
- TDR Targets ID: 170826
- Name: N-(3,4-dimethoxyphenyl)-4-(6,7-dimethoxyquina zolin-4-yl)piperazine-1-carbothioamide
- MW: 469.557 | Formula: C23H27N5O4S
-
H donors: 1
H acceptors: 2
LogP: 3.14
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1OC)NC(=S)N1CCN(CC1)c1ncnc2c1cc(OC)c(c2)OC
- InChi: 1S/C23H27N5O4S/c1-29-18-6-5-15(11-19(18)30-2)26-23(33)28-9-7-27(8-10-28)22-16-12-20(31-3)21(32-4)13-17(16)24-14-25-22/h5-6,11-14H,7-10H2,1-4H3,(H,26,33)
- InChiKey: NEHGWVMZRPMPCB-UHFFFAOYSA-N
Network
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Synonyms
- N-(3,4-dimethoxyphenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | platelet-derived growth factor receptor, beta polypeptide | Starlite/ChEMBL | 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) | nuclear receptor nhr-7B | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | ecdysone-induced protein 78c (dr-78) | 0.0067 | 0.4827 | 0.4827 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0128 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor | 0.006 | 0.4207 | 0.4207 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0128 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0015 | 0.0315 | 0.0315 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0016 | 0.0403 | 0.0403 |
| Brugia malayi | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0128 | 1 | 1 |
| Echinococcus granulosus | neuroglian | 0.0014 | 0.0247 | 0.0247 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0128 | 1 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0128 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0128 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.4827 | 0.4827 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0128 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0128 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0128 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor superfamily protein-related | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0067 | 0.4827 | 0.4827 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | conserved hypotetical protein | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | hepatocyte nuclear factor 4-alpha (hnf-4-alpha) | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0128 | 1 | 1 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0128 | 1 | 1 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | TK/KIN16 protein kinase | 0.0016 | 0.0403 | 0.0403 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0128 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0128 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor subfamily 4 group A | 0.006 | 0.4207 | 0.4207 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0128 | 1 | 1 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0128 | 1 | 1 |
| Brugia malayi | orphan nuclear receptor NR2E1 | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | DR-78 | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | hypothetical protein | 0.0067 | 0.4827 | 0.4827 |
| Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.4827 | 0.4827 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0067 | 0.4827 | 0.4827 |
| Brugia malayi | nuclear receptor NHR-88 | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0562 | 0.0562 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0128 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor nhr 48 | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0067 | 0.4827 | 0.4827 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0315 | 0.0315 |
| Loa Loa (eye worm) | hypothetical protein | 0.0018 | 0.0562 | 0.0562 |
| Echinococcus multilocularis | nuclear receptor subfamily 1 group D | 0.0067 | 0.4827 | 0.4827 |
| Echinococcus multilocularis | retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha | 0.006 | 0.4207 | 0.4207 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.006 | 0.4207 | 0.4207 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0128 | 1 | 1 |
| Schistosoma mansoni | nephrin | 0.0014 | 0.0247 | 0.0247 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Echinococcus multilocularis | nuclear receptor nhr 48 | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | tailless protein | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | nuclear hormone receptor-like 1 | 0.0067 | 0.4827 | 0.4827 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0128 | 1 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0018 | 0.0562 | 0.0562 |
| Onchocerca volvulus | 0.0128 | 1 | 1 | |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | neuroglian | 0.0014 | 0.0247 | 0.0247 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0128 | 1 | 1 |
| Brugia malayi | ecdysone receptor | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.4827 | 0.4827 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0128 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0128 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0128 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor nhr-48 | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | nuclear receptor NHR-67 | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0128 | 1 | 1 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0128 | 1 | 1 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Echinococcus granulosus | neurotracting:lsamp:neurotrimin:obcam | 0.0015 | 0.0315 | 0.0315 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | nuclear hormone receptor | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | nuclear receptor RXR | 0.0067 | 0.4827 | 0.4827 |
| Brugia malayi | steroid hormone receptor | 0.0128 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0067 | 0.4827 | 0.4827 |
| Echinococcus granulosus | nuclear receptor subfamily 1 group D | 0.0067 | 0.4827 | 0.4827 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0128 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0128 | 1 | 1 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.4827 | 0.4827 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | nuclear hormone receptor | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | nuclear receptor | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Echinococcus granulosus | twitchin | 0.0014 | 0.0247 | 0.0247 |
| Brugia malayi | nuclear hormone receptor family member nhr-6 | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | nuclear hormone receptor family member odr-7 | 0.006 | 0.4207 | 0.4207 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0067 | 0.4827 | 0.4827 |
| Brugia malayi | nuclear receptor subfamily 1, group D, member 1, putative | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | hypothetical protein | 0.0128 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0128 | 1 | 1 |
| Echinococcus granulosus | thyroid hormone receptor alpha | 0.006 | 0.4207 | 0.4207 |
| Loa Loa (eye worm) | nuclear receptor NHR-67 | 0.006 | 0.4207 | 0.4207 |
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0128 | 1 | 1 |
| Echinococcus multilocularis | roundabout 2 | 0.0018 | 0.0562 | 0.0562 |
| Echinococcus multilocularis | nuclear receptor subfamily 4 group A | 0.006 | 0.4207 | 0.4207 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.006 | 0.4207 | 0.4207 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0128 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | zinc finger protein | 0.006 | 0.4207 | 0.4207 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | nuclear receptor RXR | 0.006 | 0.4207 | 0.4207 |
| Schistosoma mansoni | coup transcription factor | 0.0128 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.4207 | 0.4207 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0128 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 1.14 uM l-1 | Inhibition of Platelet-derived growth factor receptor beta phosphorylation | ChEMBL. | 12086491 |
| IC50 (binding) | = 1.14 uM l-1 | Inhibition of Platelet-derived growth factor receptor beta phosphorylation | ChEMBL. | 12086491 |
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
- PubChem: 11730369
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.