Detailed information for compound 1805328
Basic information
Technical information
- TDR Targets ID: 1805328
- Name: 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)amin o]benzoic acid
- MW: 309.705 | Formula: C13H12ClN3O4
-
H donors: 2
H acceptors: 4
LogP: 3.39
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cc(OC)nc(n1)Nc1cccc(c1C(=O)O)Cl
- InChi: 1S/C13H12ClN3O4/c1-20-9-6-10(21-2)17-13(16-9)15-8-5-3-4-7(14)11(8)12(18)19/h3-6H,1-2H3,(H,18,19)(H,15,16,17)
- InChiKey: MCEVAYIVQAIABV-UHFFFAOYSA-N
Network
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Synonyms
- 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)amino]benzoic acid
Targets
Known targets for this compound
No curated genes were found associated with this compound
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 |
|---|---|---|---|---|
| Mycobacterium tuberculosis | Probable cytochrome P450 128 Cyp128 | 0.0004 | 0 | 0.5 |
| Giardia lamblia | ABC transporter, putative | 0.0015 | 1 | 1 |
| Trypanosoma cruzi | multidrug resistance-associated protein, putative | 0.0015 | 1 | 1 |
| Entamoeba histolytica | ATP-binding cassette protein, putative | 0.0015 | 1 | 0.5 |
| Brugia malayi | Cytochrome P450 family protein | 0.0013 | 0.8284 | 0.8284 |
| Schistosoma mansoni | multidrug resistance protein | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 123 Cyp123 | 0.0004 | 0 | 0.5 |
| Schistosoma mansoni | multidrug resistance protein | 0.0015 | 1 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0013 | 0.8284 | 0.8284 |
| Leishmania major | ATP-binding cassette protein subfamily C, member 6, putative | 0.0015 | 1 | 1 |
| Entamoeba histolytica | ATP-binding cassette protein, putative | 0.0015 | 1 | 0.5 |
| Leishmania major | pentamidine resistance protein 1 | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 139 Cyp139 | 0.0004 | 0 | 0.5 |
| Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0013 | 0.8284 | 1 |
| Entamoeba histolytica | ATP-binding cassette protein, putative | 0.0015 | 1 | 0.5 |
| Loa Loa (eye worm) | ABC transporter transmembrane region family protein | 0.0015 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 1 | 1 |
| Echinococcus multilocularis | multidrug resistance associated protein 7 | 0.0015 | 1 | 1 |
| Echinococcus granulosus | multidrug resistance associated protein 7 | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 137 Cyp137 | 0.0004 | 0 | 0.5 |
| Schistosoma mansoni | multidrug resistance protein | 0.0015 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0009 | 0.4938 | 0.4938 |
| Schistosoma mansoni | multidrug resistance protein | 0.0015 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.9892 | 0.9892 |
| Mycobacterium tuberculosis | Probable cytochrome P450 130 Cyp130 | 0.0004 | 0 | 0.5 |
| Trypanosoma brucei | multidrug resistance-associated protein, putative | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 125 Cyp125 | 0.0004 | 0 | 0.5 |
| Entamoeba histolytica | ABC transporter, putative | 0.0015 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 monooxygenase 142 Cyp142 | 0.0004 | 0 | 0.5 |
| Trypanosoma brucei | multidrug resistance-associated protein, putative | 0.0015 | 1 | 1 |
| Trypanosoma cruzi | multidrug resistance-associated protein, putative | 0.0015 | 1 | 1 |
| Loa Loa (eye worm) | CYP4Cod1 | 0.0013 | 0.8284 | 0.8284 |
| Echinococcus granulosus | multidrug resistance associated protein 4 | 0.0011 | 0.6902 | 0.6902 |
| Leishmania major | ATP-binding cassette protein subfamily C, member 5, putative | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 138 Cyp138 | 0.0004 | 0 | 0.5 |
| Leishmania major | ABC-thiol transporter | 0.0015 | 1 | 1 |
| Leishmania major | ATP-binding cassette protein subfamily C, member 2, putative | 0.0015 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | 0.0004 | 0 | 0.5 |
| Mycobacterium tuberculosis | Possible cytochrome P450 135B1 Cyp135B1 | 0.0004 | 0 | 0.5 |
| Mycobacterium tuberculosis | Possible cytochrome P450 135A1 Cyp135A1 | 0.0004 | 0 | 0.5 |
| Entamoeba histolytica | multidrug resistance protein, putative | 0.0015 | 1 | 0.5 |
| Brugia malayi | multidrug resistance related protein 1 | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 140 Cyp140 | 0.0004 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 141 Cyp141 | 0.0004 | 0 | 0.5 |
| Giardia lamblia | MRP-like ABC transporter | 0.0015 | 1 | 1 |
| Leishmania major | cytochrome p450-like protein | 0.0013 | 0.8284 | 0.8284 |
| Leishmania major | p-glycoprotein e | 0.0015 | 1 | 1 |
| Echinococcus granulosus | multidrug resistance associated protein 1 | 0.0015 | 1 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.0013 | 0.8284 | 0.8284 |
| Mycobacterium tuberculosis | Cytochrome P450 121 Cyp121 | 0.0004 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 143 Cyp143 | 0.0004 | 0 | 0.5 |
| Toxoplasma gondii | ABC transporter transmembrane region domain-containing protein | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) | 0.0004 | 0 | 0.5 |
| Giardia lamblia | Multidrug resistance-associated protein 1 | 0.0015 | 1 | 1 |
| Trypanosoma brucei | p-glycoprotein | 0.0015 | 1 | 1 |
| Mycobacterium tuberculosis | Probable cytochrome P450 124 Cyp124 | 0.0004 | 0 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 132 Cyp132 | 0.0004 | 0 | 0.5 |
| Trypanosoma brucei | cytochrome P450, putative | 0.0013 | 0.8284 | 0.8284 |
| Mycobacterium leprae | putative cytochrome p450 | 0.0004 | 0 | 0.5 |
| Trypanosoma cruzi | hypothetical protein | 0.0011 | 0.6902 | 0.6902 |
| Leishmania major | ATP-binding cassette protein subfamily C, member 1, putative | 0.0015 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0015 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable cytochrome P450 144 Cyp144 | 0.0004 | 0 | 0.5 |
| Trypanosoma cruzi | cytochrome P450, putative | 0.0013 | 0.8284 | 0.8284 |
| Echinococcus multilocularis | multidrug resistance associated protein 4 | 0.0011 | 0.6902 | 0.6902 |
| Trypanosoma cruzi | multidrug resistance protein E, putative | 0.0015 | 1 | 1 |
| Trypanosoma cruzi | cytochrome P450, putative | 0.0013 | 0.8284 | 0.8284 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.0013 | 0.8284 | 0.8284 |
| Mycobacterium leprae | Conserved hypothetical protein | 0.0004 | 0 | 0.5 |
| Giardia lamblia | Multidrug resistance-associated protein 1 | 0.0015 | 1 | 1 |
| Entamoeba histolytica | ATP-binding cassette protein, putative | 0.0015 | 1 | 0.5 |
| Trypanosoma brucei | multidrug resistance protein E | 0.0015 | 1 | 1 |
| Loa Loa (eye worm) | multidrug resistance-associated protein | 0.0012 | 0.701 | 0.701 |
| Mycobacterium tuberculosis | Possible cytochrome P450 126 Cyp126 | 0.0004 | 0 | 0.5 |
| Echinococcus multilocularis | multidrug resistance associated protein 1 | 0.0015 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | > 4 | Inhibition of acetolactate synthase in 6-7 days old etiolated Pisum sativum (pea) shoot | 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: CHEMBL2289313
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.