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
Hover on a compound node to display the structore
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 |
|---|---|---|---|---|
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | hypothetical protein | 0.0037 | 0.003 | 0.287 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0083 | 1 |
| Loa Loa (eye worm) | GDP-mannose pyrophosphorylase B | 0.0038 | 0.0032 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Schistosoma mansoni | mannose-1-phosphate guanyltransferase | 0.0038 | 0.0032 | 1 |
| Chlamydia trachomatis | UDP-3-O-acylglucosamine N-acyltransferase | 0.0037 | 0.003 | 0.5 |
| 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 cruzi | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.3113 |
| 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 | GDP-mannose pyrophosphorylase B | 0.0038 | 0.0032 | 1 |
| Echinococcus granulosus | mannose 1 phosphate guanyltransferase beta | 0.0037 | 0.003 | 0.9435 |
| Echinococcus granulosus | mannose 1 phosphate guanyltransferase | 0.0038 | 0.0032 | 1 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Leishmania major | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Schistosoma mansoni | glucosamine-1-phosphate N-acetyltransferase | 0.0038 | 0.0032 | 1 |
| Entamoeba histolytica | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0009 | 1 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trypanosoma cruzi | major cysteine proteinase, putative | 0.0061 | 0.0062 | 0.7098 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trichomonas vaginalis | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Schistosoma mansoni | gdp-mannose pyrophosphorylase b isoform 2 | 0.0038 | 0.0032 | 1 |
| Trypanosoma brucei | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.034 |
| Trypanosoma cruzi | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.3113 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0037 | 0.003 | 0.9221 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Loa Loa (eye worm) | nucleotidyl transferase | 0.0038 | 0.0032 | 1 |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.0037 | 0.003 | 0.9221 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Echinococcus granulosus | cathepsin l1 | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Schistosoma mansoni | cathepsin F (C01 family) | 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) | cysteine protease | 0.002 | 0.0009 | 0.2743 |
| Leishmania major | cathepsin L-like protease | 0.0077 | 0.0083 | 1 |
| Plasmodium falciparum | liver specific protein 2, putative | 0.0037 | 0.003 | 0.9221 |
| Trypanosoma brucei | nucleotidyl transferase, putative | 0.0038 | 0.0032 | 0.034 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Loa Loa (eye worm) | fibroinase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L or K-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Echinococcus granulosus | cathepsin L cysteine proteinase | 0.002 | 0.0009 | 0.2743 |
| Echinococcus granulosus | mannose 1 phosphate guanyltransferase beta | 0.0038 | 0.0032 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Echinococcus granulosus | dynactin 5 p25 | 0.0037 | 0.003 | 0.9435 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Leishmania major | serine acetyltransferase | 0.0037 | 0.003 | 0.287 |
| Wolbachia endosymbiont of Brugia malayi | N-acetylglucosamine-1-phosphate uridyltransferase | 0.7628 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Schistosoma mansoni | cathepsin F (C01 family) | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | maltose O-acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Mycobacterium ulcerans | bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase | 0.7628 | 1 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0083 | 1 |
| Loa Loa (eye worm) | ctsf protein | 0.002 | 0.0009 | 0.2743 |
| Loa Loa (eye worm) | hypothetical protein | 0.002 | 0.0009 | 0.2743 |
| Toxoplasma gondii | GDP-D-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.0137 |
| Brugia malayi | zgc:92842 | 0.0037 | 0.003 | 0.9435 |
| Plasmodium falciparum | mannose-1-phosphate guanyltransferase, putative | 0.0038 | 0.0032 | 1 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Entamoeba histolytica | cysteine protease, putative | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Plasmodium vivax | dynactin subunit 5, putative | 0.0037 | 0.003 | 0.9221 |
| 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 or K-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 | Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU | 0.7628 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Mycobacterium ulcerans | hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| 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 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Echinococcus multilocularis | dynactin 5 p25 | 0.0037 | 0.003 | 0.9221 |
| Onchocerca volvulus | Cathepsin L homolog | 0.002 | 0.0009 | 1 |
| 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 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Onchocerca volvulus | 0.002 | 0.0009 | 1 | |
| Entamoeba histolytica | translation initiation factor eIF-2B epsilon subunit, putative | 0.0038 | 0.0032 | 1 |
| Loa Loa (eye worm) | papain family cysteine protease containing protein | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | Translation initiation factor eIF-2B subunit epsilon, putative | 0.0038 | 0.0032 | 0.3113 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | eIF4-gamma/eIF5/eIF2-epsilon family protein | 0.0037 | 0.003 | 0.9435 |
| Leishmania major | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Trypanosoma cruzi | serine acetyltransferase, putative | 0.0037 | 0.003 | 0.287 |
| Entamoeba histolytica | acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Echinococcus multilocularis | mannose 1 phosphate guanyltransferase | 0.0038 | 0.0032 | 1 |
| Schistosoma mansoni | DNA polymerase epsilon catalytic subunit | 0.0037 | 0.003 | 0.9435 |
| Entamoeba histolytica | serine acetyltransferase 1 | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | glucose-1-phosphate thymidylyltransferase, putative | 0.0038 | 0.0032 | 1 |
| Trichomonas vaginalis | sugar-1-phosphate guanyl transferase, putative | 0.0038 | 0.0032 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| Brugia malayi | Papain family cysteine protease containing protein | 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 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0037 | 0.003 | 0.287 |
| Trypanosoma cruzi | cruzipain precursor, putative | 0.0077 | 0.0083 | 1 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0083 | 1 |
| Loa Loa (eye worm) | GDP-mannose pyrophosphorylase B | 0.0037 | 0.003 | 0.9435 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Echinococcus multilocularis | mannose 1 phosphate guanyltransferase beta | 0.0038 | 0.0032 | 1 |
| 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 |
| Toxoplasma gondii | hypothetical protein | 0.0037 | 0.003 | 0.0126 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | cysteine peptidase, putative | 0.0077 | 0.0083 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Loa Loa (eye worm) | Papain cysteine protease/cathepsin propeptide inhibitor-containing protein | 0.002 | 0.0009 | 0.2743 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | serine acetyltransferase 1 | 0.0037 | 0.003 | 0.9435 |
| Chlamydia trachomatis | acyl-ACP--UDP-N-acetylglucosamine O-acyltransferase | 0.0037 | 0.003 | 0.5 |
| Toxoplasma gondii | eukaryotic initiation factor 2B epsilon subunit, putative | 0.0037 | 0.003 | 0.0126 |
| Echinococcus multilocularis | mannose 1 phosphate guanyltransferase beta | 0.0037 | 0.003 | 0.9221 |
| Leishmania major | GDP-mannose pyrophosphorylase | 0.0038 | 0.0032 | 0.3113 |
| Giardia lamblia | Translation initiation factor | 0.0037 | 0.003 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C1, papain-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 | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Loa Loa (eye worm) | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Schistosoma mansoni | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Entamoeba histolytica | serine acetyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Toxoplasma gondii | eukaryotic initiation factor-2B, epsilon subunit, putative | 0.0037 | 0.003 | 0.0126 |
| Trypanosoma brucei | cysteine peptidase, Clan CA, family C1, Cathepsin L-like | 0.0077 | 0.0083 | 1 |
| Trichomonas vaginalis | Clan CA, family C1, cathepsin L-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Plasmodium vivax | mannose-1-phosphate guanyltransferase, putative | 0.0038 | 0.0032 | 1 |
| Entamoeba histolytica | bacterial transferase hexapeptide family protein | 0.0037 | 0.003 | 0.9435 |
| Mycobacterium ulcerans | molybdopterin-guanine dinucleotide biosynthesis protein A | 0.1312 | 0.1705 | 0.168 |
| Schistosoma mansoni | dynactin subunit P25 | 0.0037 | 0.003 | 0.9435 |
| Trichomonas vaginalis | mannose-1-phosphate guanyltransferase, putative | 0.0037 | 0.003 | 0.9435 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0009 | 0.2743 |
| Trypanosoma cruzi | cysteine peptidase, clan CA, family C1, cathepsin L-like, putative | 0.007 | 0.0075 | 0.8824 |
| Plasmodium falciparum | dynactin subunit 5, putative | 0.0037 | 0.003 | 0.9221 |
| Entamoeba histolytica | bacterial transferase hexapeptide family protein | 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 |
| Toxoplasma gondii | eukaryotic initiation factor-2B, gamma subunit, putative | 0.1312 | 0.1705 | 1 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | cysteine proteinase, putative | 0.002 | 0.0009 | 0.2743 |
| Loa Loa (eye worm) | dynactin 5 | 0.0037 | 0.003 | 0.9435 |
| 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 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Entamoeba histolytica | ankyrin, putative | 0.0037 | 0.003 | 0.9435 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| Trypanosoma cruzi | serine acetyltransferase, putative | 0.0037 | 0.003 | 0.287 |
| Treponema pallidum | licC protein (licC) | 0.1312 | 0.1705 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.1312 | 0.1705 | 0.168 |
| Trichomonas vaginalis | Clan CA, family C1, papain-like cysteine peptidase | 0.002 | 0.0009 | 0.2743 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.003 | 0.9435 |
| Brugia malayi | Cathepsin L-like precursor | 0.002 | 0.0009 | 0.2743 |
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.