Detailed information for compound 1454661
Basic information
Technical information
- TDR Targets ID: 1454661
- Name: 4-chloro-6-(4-fluorophenyl)sulfanylpyrimidin- 2-amine
- MW: 255.699 | Formula: C10H7ClFN3S
-
H donors: 1
H acceptors: 2
LogP: 3.32
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Fc1ccc(cc1)Sc1cc(Cl)nc(n1)N
- InChi: 1S/C10H7ClFN3S/c11-8-5-9(15-10(13)14-8)16-7-3-1-6(12)2-4-7/h1-5H,(H2,13,14,15)
- InChiKey: KSAJEGIONOTKQZ-UHFFFAOYSA-N
Network
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Synonyms
- 4-chloro-6-(4-fluorophenyl)sulfanyl-pyrimidin-2-amine
- 4-chloro-6-[(4-fluorophenyl)thio]-2-pyrimidinamine
- [4-chloro-6-[(4-fluorophenyl)thio]pyrimidin-2-yl]amine
- 4-chloro-6-[(4-fluorophenyl)sulfanyl]-2-pyrimidinamine
- MLS000325924
- SMR000170040
- ZINC01398019
- 7L-807
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | parathyroid hormone 1 receptor | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.4666 | 0.4666 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.012 | 1 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.4666 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.4666 | 0.8686 |
| Loa Loa (eye worm) | hypothetical protein | 0.012 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.4666 | 0.8686 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.4666 | 0.8686 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.4666 | 0.4666 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.4666 | 0.4666 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0082 | 0.5371 | 0.5371 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.4666 | 0.4666 |
| Schistosoma mansoni | hypothetical protein | 0.0082 | 0.5371 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.012 | 1 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.4666 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.4666 | 0.4666 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.4666 | 0.8686 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.4666 | 0.4666 |
| Loa Loa (eye worm) | hypothetical protein | 0.0082 | 0.5371 | 0.5371 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.4666 | 0.8686 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 13.1154 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 (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 (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | 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: CHEMBL1584676
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.