Detailed information for compound 1392814
Basic information
Technical information
- TDR Targets ID: 1392814
- Name: N'-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-m ethylbenzenesulfonohydrazide
- MW: 322.383 | Formula: C14H18N4O3S
-
H donors: 2
H acceptors: 4
LogP: 2.51
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1S(=O)(=O)NNc1nc(C)cc(n1)C)C
- InChi: 1S/C14H18N4O3S/c1-9-5-6-12(21-4)13(7-9)22(19,20)18-17-14-15-10(2)8-11(3)16-14/h5-8,18H,1-4H3,(H,15,16,17)
- InChiKey: KJVXVHKYDPUPIA-UHFFFAOYSA-N
Network
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Synonyms
- N'-(4,6-dimethylpyrimidin-2-yl)-2-methoxy-5-methyl-benzenesulfonohydrazide
- N'-(4,6-dimethyl-2-pyrimidinyl)-2-methoxy-5-methylbenzenesulfonohydrazide
- T5423230
- ZINC07060873
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polymerase (DNA directed) iota | 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 |
|---|---|---|---|---|
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Leishmania major | prostaglandin f2-alpha synthase/D-arabinose dehydrogenase | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0113 | 1 | 1 |
| Toxoplasma gondii | aldo/keto reductase family oxidoreductase | 0.0113 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0113 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0113 | 1 | 1 |
| Plasmodium vivax | oxidoreductase, aldo/keto reductase domain containing protein | 0.0113 | 1 | 0.5 |
| Giardia lamblia | Aldose reductase | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Plasmodium falciparum | aldo-keto reductase, putative | 0.0113 | 1 | 0.5 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Trypanosoma brucei | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0113 | 1 | 1 |
| Toxoplasma gondii | aldose reductase, putative | 0.0113 | 1 | 0.5 |
| Mycobacterium leprae | PROBABLE OXIDOREDUCTASE | 0.0113 | 1 | 0.5 |
| Schistosoma mansoni | aldo-keto reductase | 0.0113 | 1 | 1 |
| Leishmania major | prostaglandin f synthase, putative | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0113 | 1 | 1 |
| Plasmodium falciparum | aldehyde reductase, putative | 0.0113 | 1 | 0.5 |
| Mycobacterium ulcerans | oxidoreductase | 0.0113 | 1 | 1 |
| Giardia lamblia | Aldose reductase | 0.0113 | 1 | 1 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Entamoeba histolytica | alcohol dehydrogenase, putative | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0113 | 1 | 1 |
| Schistosoma mansoni | pol-related | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Toxoplasma gondii | aldo-keto reductase | 0.0113 | 1 | 0.5 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Entamoeba histolytica | aldose reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0113 | 1 | 1 |
| Trypanosoma brucei | prostaglandin f synthase | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Trypanosoma brucei | aldo/keto reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Schistosoma mansoni | potassium channel beta | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | dihydrodiol dehydrogenase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Leishmania major | aldo-keto reductase-like protein | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Echinococcus multilocularis | aldo keto reductase | 0.0113 | 1 | 1 |
| Trypanosoma cruzi | aldo/keto reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | voltage gated potassium channel subunit | 0.0113 | 1 | 1 |
| Leishmania major | aldo/keto reductase, putative,aldo/keto reductase family-like protein | 0.0113 | 1 | 1 |
| Leishmania major | aldehyde reductase, putative,oxidoreductase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0113 | 1 | 1 |
| Brugia malayi | oxidoreductase, aldo/keto reductase family protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | alcohol dehydrogenase, putative | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Schistosoma mansoni | aldo-keto reductase | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Entamoeba histolytica | aldose reductase, putative | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus granulosus | voltage gated potassium channel subunit | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Plasmodium vivax | aldehyde reductase, putative | 0.0113 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase family 1, member B4 | 0.0113 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, aldo/keto reductase family protein | 0.0113 | 1 | 0.5 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo-keto reductase, putative | 0.0113 | 1 | 1 |
| Trichomonas vaginalis | aldo/keto reductase, putative | 0.0113 | 1 | 1 |
| Brugia malayi | NADH-dependent xylose reductase | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Brugia malayi | glutamate-cysteine ligase modifier subunit | 0.0113 | 1 | 1 |
| Trypanosoma cruzi | aldo-keto reductase | 0.0113 | 1 | 1 |
| Mycobacterium leprae | Possible oxidoreductase | 0.0113 | 1 | 0.5 |
| Echinococcus granulosus | aldo keto reductase family 1 member B4 | 0.0113 | 1 | 1 |
| Onchocerca volvulus | 0.0113 | 1 | 0.5 | |
| Loa Loa (eye worm) | oxidoreductase | 0.0113 | 1 | 1 |
| Loa Loa (eye worm) | glutamate-cysteine ligase modifier subunit | 0.0113 | 1 | 1 |
| Echinococcus multilocularis | aldo keto reductase | 0.0113 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0113 | 1 | 1 |
| Echinococcus granulosus | aldo keto reductase | 0.0113 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
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
- ChEMBL: CHEMBL1531803
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.