Detailed information for compound 150309
Basic information
Technical information
- TDR Targets ID: 150309
- Name: [(E)-[5-(3-chlorophenyl)furan-2-yl]methyliden eamino]thiourea
- MW: 279.745 | Formula: C12H10ClN3OS
-
H donors: 1
H acceptors: 0
LogP: 3.32
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1cccc(c1)c1ccc(o1)/C=N/N=C(\S)/N
- InChi: 1S/C12H10ClN3OS/c13-9-3-1-2-8(6-9)11-5-4-10(17-11)7-15-16-12(14)18/h1-7H,(H3,14,16,18)/b15-7+
- InChiKey: HDFFZLLJRXNZMA-VIZOYTHASA-N
Network
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Synonyms
- [(E)-[5-(3-chlorophenyl)-2-furyl]methyleneamino]thiourea
- 1-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]thiourea
- [[5-(3-chlorophenyl)furan-2-yl]methylideneamino]thiourea
- [[5-(3-chlorophenyl)-2-furyl]methyleneamino]thiourea
- BAS 00323795
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Trypanosoma cruzi | cysteine peptidase, putative | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Leishmania major | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Loa Loa (eye worm) | GDP-mannose pyrophosphorylase B | 0.0037 | 0.003 | 0.9435 |
| Giardia lamblia | Translation initiation factor | 0.0037 | 0.003 | 0.5 |
| Echinococcus granulosus | dynactin 5 p25 | 0.0037 | 0.003 | 0.9435 |
| Plasmodium falciparum | mannose-1-phosphate guanyltransferase, putative | 0.0038 | 0.0032 | 1 |
| Echinococcus granulosus | cathepsin l1 | 0.002 | 0.0009 | 0.2743 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Schistosoma mansoni | DNA polymerase epsilon catalytic subunit | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | zgc:92842 | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | glucose-1-phosphate thymidylyltransferase, putative | 0.0038 | 0.0032 | 1 |
| Loa Loa (eye worm) | dynactin 5 | 0.0037 | 0.003 | 0.9435 |
| Loa Loa (eye worm) | ctsf protein | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | serine acetyltransferase, putative | 0.0037 | 0.003 | 0.287 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.007 | 0.0075 | 0.8824 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | Translation initiation factor eIF-2B subunit epsilon, putative | 0.0038 | 0.0032 | 0.3113 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Toxoplasma gondii | eukaryotic initiation factor 2B epsilon subunit, putative | 0.0037 | 0.003 | 0.0126 |
| Trypanosoma cruzi | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.3113 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Schistosoma mansoni | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0009 | 1 |
| Echinococcus multilocularis | mannose 1 phosphate guanyltransferase beta | 0.0038 | 0.0032 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0009 | 0.2743 |
| Loa Loa (eye worm) | fibroinase | 0.002 | 0.0009 | 0.2743 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0083 | 1 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Chlamydia trachomatis | acyl-ACP--UDP-N-acetylglucosamine O-acyltransferase | 0.0037 | 0.003 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Toxoplasma gondii | hypothetical protein | 0.0037 | 0.003 | 0.0126 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Toxoplasma gondii | eukaryotic initiation factor-2B, epsilon subunit, putative | 0.0037 | 0.003 | 0.0126 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Trypanosoma brucei | nucleotidyl transferase, putative | 0.0038 | 0.0032 | 0.034 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | Nucleotidyl transferase family protein | 0.0038 | 0.0032 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Entamoeba histolytica | translation initiation factor eIF-2B epsilon subunit, putative | 0.0038 | 0.0032 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0077 | 0.0083 | 1 |
| Plasmodium vivax | mannose-1-phosphate guanyltransferase, putative | 0.0038 | 0.0032 | 1 |
| Echinococcus granulosus | mannose 1 phosphate guanyltransferase beta | 0.0037 | 0.003 | 0.9435 |
| Leishmania major | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.3113 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Entamoeba histolytica | serine acetyltransferase 1 | 0.0037 | 0.003 | 0.9435 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Mycobacterium tuberculosis | Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU | 0.7628 | 1 | 1 |
| Mycobacterium ulcerans | bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase | 0.7628 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | Papain family cysteine protease containing protein | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Brugia malayi | eIF4-gamma/eIF5/eIF2-epsilon family protein | 0.0037 | 0.003 | 0.9435 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Plasmodium vivax | hypothetical protein, conserved | 0.0037 | 0.003 | 0.9221 |
| Treponema pallidum | licC protein (licC) | 0.1312 | 0.1705 | 0.5 |
| Entamoeba histolytica | serine acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Echinococcus multilocularis | mannose 1 phosphate guanyltransferase beta | 0.0037 | 0.003 | 0.9221 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0009 | 0.2743 |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.0037 | 0.003 | 0.9221 |
| Loa Loa (eye worm) | cysteine protease | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | GDP-mannose pyrophosphorylase B | 0.0038 | 0.0032 | 1 |
| Plasmodium vivax | dynactin subunit 5, putative | 0.0037 | 0.003 | 0.9221 |
| Trypanosoma cruzi | hypothetical protein | 0.0037 | 0.003 | 0.287 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Chlamydia trachomatis | UDP-3-O-acylglucosamine N-acyltransferase | 0.0037 | 0.003 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Trypanosoma cruzi | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.3113 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trichomonas vaginalis | sugar-1-phosphate guanyl transferase, putative | 0.0038 | 0.0032 | 1 |
| Loa Loa (eye worm) | GDP-mannose pyrophosphorylase B | 0.0038 | 0.0032 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | bacterial transferase hexapeptide family protein | 0.0037 | 0.003 | 0.9435 |
| Entamoeba histolytica | bacterial transferase hexapeptide family protein | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| Entamoeba histolytica | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trypanosoma cruzi | major cysteine proteinase, putative | 0.0061 | 0.0062 | 0.7098 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Mycobacterium ulcerans | d-alpha-D-mannose-1-phosphate guanylyltransferase ManB | 0.0038 | 0.0032 | 0.0002 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Mycobacterium ulcerans | molybdopterin-guanine dinucleotide biosynthesis protein A | 0.1312 | 0.1705 | 0.168 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0009 | 0.2743 |
| Plasmodium falciparum | liver specific protein 2, putative | 0.0037 | 0.003 | 0.9221 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0083 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Echinococcus multilocularis | dynactin 5 p25 | 0.0037 | 0.003 | 0.9221 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Schistosoma mansoni | gdp-mannose pyrophosphorylase b isoform 2 | 0.0038 | 0.0032 | 1 |
| Entamoeba histolytica | ankyrin, putative | 0.0037 | 0.003 | 0.9435 |
| Toxoplasma gondii | GDP-D-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.0137 |
| Plasmodium falciparum | dynactin subunit 5, putative | 0.0037 | 0.003 | 0.9221 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0083 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Toxoplasma gondii | eukaryotic initiation factor-2B, gamma subunit, putative | 0.1312 | 0.1705 | 1 |
| Entamoeba histolytica | cysteine protease, putative | 0.002 | 0.0009 | 0.2743 |
| Schistosoma mansoni | dynactin subunit P25 | 0.0037 | 0.003 | 0.9435 |
| Schistosoma mansoni | mannose-1-phosphate guanyltransferase | 0.0038 | 0.0032 | 1 |
| Loa Loa (eye worm) | nucleotidyl transferase | 0.0038 | 0.0032 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Entamoeba histolytica | serine acetyltransferase 1 | 0.0037 | 0.003 | 0.9435 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trypanosoma brucei | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.034 |
| Trypanosoma cruzi | serine acetyltransferase, putative | 0.0037 | 0.003 | 0.287 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0083 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0083 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Echinococcus granulosus | cathepsin l cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Onchocerca volvulus | Cathepsin F homolog | 0.002 | 0.0009 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0083 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Schistosoma mansoni | glucosamine-1-phosphate N-acetyltransferase | 0.0038 | 0.0032 | 1 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Echinococcus granulosus | mannose 1 phosphate guanyltransferase | 0.0038 | 0.0032 | 1 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0009 | 1 |
| Echinococcus multilocularis | mannose 1 phosphate guanyltransferase | 0.0038 | 0.0032 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.002 | 0.0009 | 0.2743 |
| Echinococcus granulosus | mannose 1 phosphate guanyltransferase beta | 0.0038 | 0.0032 | 1 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trichomonas vaginalis | mannose-1-phosphate guanyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Wolbachia endosymbiont of Brugia malayi | N-acetylglucosamine-1-phosphate uridyltransferase | 0.7628 | 1 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| Leishmania major | serine acetyltransferase | 0.0037 | 0.003 | 0.287 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 140 nM | Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein | ChEMBL. | 12061873 |
| IC50 (binding) | = 140 nM | Inhibitory activity against Trypanosoma cruzi cathepsin L-like protease (cruzain) was determined using purified recombinant protein | ChEMBL. | 12061873 |
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: 9563238
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.