1-(3-chlorophenyl)-3-(phenylmethyl)thiourea, also known as **3-chlorophenyl-N-benzylthiourea**, is an organic compound with a thiourea functional group.
Here's a breakdown of its structure and potential importance in research:
**Structure:**
* **Thiourea:** This is the core functional group, consisting of a sulfur atom double-bonded to a carbon atom that's also bonded to two nitrogen atoms.
* **3-chlorophenyl:** This part refers to a phenyl ring (a six-membered carbon ring with alternating double bonds) substituted with a chlorine atom at the third position.
* **Phenylmethyl (benzyl):** This is a phenyl ring attached to a methylene (-CH2-) group.
**Importance in Research:**
Thioureas, in general, are known for their diverse biological activities, including:
* **Antimicrobial:** They can inhibit the growth of bacteria, fungi, and viruses.
* **Anti-inflammatory:** They can reduce inflammation and pain.
* **Antioxidant:** They can protect cells from damage caused by free radicals.
* **Herbicidal:** They can be used to control weeds.
* **Pesticide:** They can be used to kill insects and other pests.
* **Pharmaceutical:** They are used in the synthesis of various pharmaceuticals, including drugs for cancer, HIV, and Alzheimer's disease.
**1-(3-chlorophenyl)-3-(phenylmethyl)thiourea** specifically could be relevant for research due to:
* **Potential Biological Activity:** The specific combination of substituents on the thiourea core could give this compound unique properties, potentially leading to new biological applications.
* **Synthetic Utility:** It could be used as a building block for synthesizing other, more complex molecules with interesting biological activity.
* **Structure-Activity Relationships:** Studying the activity of this compound alongside related thioureas could help researchers understand how the structure of these molecules influences their biological activity.
**Note:** It's crucial to emphasize that the specific importance and applications of 1-(3-chlorophenyl)-3-(phenylmethyl)thiourea in research are not readily available in public databases. This compound may not have been extensively studied yet, and further research is needed to understand its full potential.
If you are interested in learning more about this specific compound, you would need to consult specialized scientific literature or contact researchers working in the field.
ID Source | ID |
---|---|
PubMed CID | 826714 |
CHEMBL ID | 1500327 |
CHEBI ID | 104944 |
SCHEMBL ID | 9123997 |
Synonym |
---|
AE-641/01074053 |
n-benzyl-n'-(3-chlorophenyl)thiourea |
smr000224886 |
MLS000701689 , |
STK144126 |
1-benzyl-3-(3-chlorophenyl)thiourea |
CHEBI:104944 |
AKOS003705224 |
HMS2528F07 |
CHEMBL1500327 |
SCHEMBL9123997 |
cid_826714 |
bdbm80919 |
1-(3-chlorophenyl)-3-(phenylmethyl)thiourea |
Q27182613 |
Class | Description |
---|---|
thioureas | Compounds of general formula RR'NC(=S)NR''R'''. |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
glp-1 receptor, partial | Homo sapiens (human) | Potency | 7.0795 | 0.0184 | 6.8060 | 14.1254 | AID624417 |
ClpP | Bacillus subtilis | Potency | 28.1838 | 1.9953 | 22.6730 | 39.8107 | AID651965 |
TDP1 protein | Homo sapiens (human) | Potency | 27.5110 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 63.0957 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
nonstructural protein 1 | Influenza A virus (A/WSN/1933(H1N1)) | Potency | 19.9526 | 0.2818 | 9.7212 | 35.4813 | AID2326 |
glucocerebrosidase | Homo sapiens (human) | Potency | 7.9433 | 0.0126 | 8.1569 | 44.6684 | AID2101 |
P53 | Homo sapiens (human) | Potency | 70.7946 | 0.0731 | 9.6858 | 31.6228 | AID504706 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 14.1254 | 0.0018 | 15.6638 | 39.8107 | AID894 |
transcriptional regulator ERG isoform 3 | Homo sapiens (human) | Potency | 31.6228 | 0.7943 | 21.2757 | 50.1187 | AID624246 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 75.6863 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
tumor susceptibility gene 101 protein | Homo sapiens (human) | Potency | 89.1251 | 0.1298 | 10.8331 | 32.6090 | AID493005 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 9.1064 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
lamin isoform A-delta10 | Homo sapiens (human) | Potency | 35.4813 | 0.8913 | 12.0676 | 28.1838 | AID1487 |
Glycoprotein hormones alpha chain | Homo sapiens (human) | Potency | 7.9433 | 4.4668 | 8.3448 | 10.0000 | AID624291 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 28.1838 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
phospholipase A2 precursor | Homo sapiens (human) | IC50 (µMol) | 8.8000 | 1.0200 | 9.0025 | 15.2000 | AID588400 |
cysteine protease ATG4B isoform a | Homo sapiens (human) | IC50 (µMol) | 13.3000 | 1.2500 | 10.6632 | 19.1000 | AID504756 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.56) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |