Detailed information for compound 1402476

Basic information

Technical information
  • TDR Targets ID: 1402476
  • Name: 1-(cyclopropanecarbonylamino)-3-(2,4-dichloro phenyl)thiourea
  • MW: 304.196 | Formula: C11H11Cl2N3OS
  • H donors: 3 H acceptors: 1 LogP: 2.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccc(cc1Cl)Cl)NNC(=O)C1CC1
  • InChi: 1S/C11H11Cl2N3OS/c12-7-3-4-9(8(13)5-7)14-11(18)16-15-10(17)6-1-2-6/h3-6H,1-2H2,(H,15,17)(H2,14,16,18)
  • InChiKey: VKAJOVUJHWBMKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(cyclopropyl-oxomethyl)amino]-3-(2,4-dichlorophenyl)thiourea
  • 1-(cyclopropylcarbonylamino)-3-(2,4-dichlorophenyl)thiourea
  • A3353/0142290
  • ZINC00116644
  • 2-(cyclopropylcarbonyl)-N-(2,4-dichlorophenyl)hydrazinecarbothioamide
  • MLS000581588
  • SMR000200218

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Onchocerca volvulus Cathepsin F homolog 0.1012 0.2871 1
Loa Loa (eye worm) hypothetical protein 0.0308 0.0205 0.0205
Onchocerca volvulus 0.1012 0.2871 1
Plasmodium vivax unspecified product 0.0308 0.0205 0.0714
Trypanosoma cruzi cysteine peptidase, putative 0.0561 0.1164 0.1164
Entamoeba histolytica cysteine proteinase, putative 0.0561 0.1164 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Plasmodium vivax vivapain-2 0.1012 0.2871 1
Plasmodium vivax vivapain-1 0.0561 0.1164 0.4054
Brugia malayi Cathepsin L-like precursor 0.1012 0.2871 0.2871
Onchocerca volvulus 0.1012 0.2871 1
Entamoeba histolytica cysteine protease, putative 0.1012 0.2871 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.1071 0.3093 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0705 0.1707 0.1707
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1012 0.2871 0.9283
Brugia malayi Cathepsin L-like precursor 0.0308 0.0205 0.0205
Onchocerca volvulus Cathepsin L homolog 0.1012 0.2871 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Loa Loa (eye worm) cathepsin B 0.1071 0.3093 0.3093
Schistosoma mansoni cathepsin F (C01 family) 0.1012 0.2871 0.2871
Trypanosoma cruzi cruzipain precursor, putative 0.1012 0.2871 0.2871
Echinococcus multilocularis cysteine protease 0.1012 0.2871 0.2871
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.1012 0.2871 0.2871
Entamoeba histolytica cysteine proteinase 1, putative 0.0561 0.1164 0.4054
Echinococcus granulosus cathepsin l1 0.1012 0.2871 0.2871
Brugia malayi Cathepsin L-like precursor 0.1012 0.2871 0.2871
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0705 0.1707 0.552
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1071 0.3093 0.3093
Loa Loa (eye worm) hypothetical protein 0.0705 0.1707 0.1707
Echinococcus multilocularis cysteine protease 0.1012 0.2871 0.2871
Schistosoma mansoni cathepsin F (C01 family) 0.0705 0.1707 0.1707
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.1012 0.2871 0.9283
Onchocerca volvulus Cathepsin L homolog 0.1012 0.2871 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Entamoeba histolytica cysteine proteinase, putative 0.0561 0.1164 0.4054
Echinococcus granulosus cathepsin L cysteine protease 0.0561 0.1164 0.1164
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1012 0.2871 0.2871
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0705 0.1707 0.1707
Echinococcus granulosus cathepsin L cysteine proteinase 0.1012 0.2871 0.2871
Loa Loa (eye worm) papain family cysteine protease containing protein 0.1012 0.2871 0.2871
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Brugia malayi Papain family cysteine protease containing protein 0.0561 0.1164 0.1164
Trypanosoma cruzi cysteine peptidase, putative 0.1012 0.2871 0.2871
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Plasmodium vivax vivapain-2 0.1012 0.2871 1
Onchocerca volvulus 0.1012 0.2871 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Loa Loa (eye worm) cysteine protease 0.1012 0.2871 0.2871
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Trypanosoma cruzi cysteine peptidase, putative 0.0308 0.0205 0.0205
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0561 0.1164 0.1164
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Brugia malayi Papain family cysteine protease containing protein 0.0561 0.1164 0.1164
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Loa Loa (eye worm) hypothetical protein 0.1012 0.2871 0.2871
Onchocerca volvulus 0.1012 0.2871 1
Giardia lamblia Cathepsin B precursor 0.1071 0.3093 1
Loa Loa (eye worm) ctsf protein 0.1012 0.2871 0.2871
Giardia lamblia Cathepsin B precursor 0.1071 0.3093 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Echinococcus granulosus cathepsin L 0.0561 0.1164 0.1164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Loa Loa (eye worm) hypothetical protein 0.0308 0.0205 0.0205
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.2747 0.2747
Plasmodium falciparum cysteine proteinase falcipain 3 0.1012 0.2871 1
Entamoeba histolytica cysteine proteinase, putative 0.0705 0.1707 0.5946
Trypanosoma cruzi cysteine proteinase, putative 0.0561 0.1164 0.1164
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0561 0.1164 0.3763
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Brugia malayi Cathepsin L-like precursor 0.1012 0.2871 0.2871
Brugia malayi Cathepsin L-like precursor 0.1012 0.2871 0.2871
Plasmodium falciparum cysteine proteinase falcipain 2b 0.1012 0.2871 1
Loa Loa (eye worm) hypothetical protein 0.0705 0.1707 0.1707
Echinococcus granulosus cathepsin l cysteine peptidase 0.1012 0.2871 0.2871
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Schistosoma mansoni cathepsin s 0.0308 0.0205 0.0205
Toxoplasma gondii cathepsin B 0.1071 0.3093 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0308 0.0205 0.0205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Onchocerca volvulus 0.1012 0.2871 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0308 0.0205 0.0205
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0561 0.1164 0.1164
Trypanosoma cruzi cysteine peptidase, putative 0.1012 0.2871 0.2871
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0561 0.1164 0.1164
Echinococcus multilocularis cathepsin l cysteine peptidase 0.1012 0.2871 0.2871
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Echinococcus multilocularis cathepsin L 0.0561 0.1164 0.1164
Echinococcus granulosus cysteine protease 0.0561 0.1164 0.1164
Trypanosoma cruzi cysteine protease, putative 0.0561 0.1164 0.1164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0561 0.1164 0.3763
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0705 0.1707 0.552
Trypanosoma cruzi cysteine peptidase, putative 0.1012 0.2871 0.2871
Loa Loa (eye worm) hypothetical protein 0.0705 0.1707 0.1707
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Entamoeba histolytica cysteine proteinase 2 0.0561 0.1164 0.4054
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Brugia malayi Cathepsin L-like precursor 0.1012 0.2871 0.2871
Plasmodium falciparum cysteine proteinase falcipain 2a 0.1012 0.2871 1
Trypanosoma cruzi cysteine proteinase, putative 0.0561 0.1164 0.1164
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Plasmodium falciparum cysteine proteinase falcipain 1 0.0561 0.1164 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Onchocerca volvulus 0.1012 0.2871 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Entamoeba histolytica cysteine proteinase, putative 0.0561 0.1164 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Echinococcus multilocularis cathepsin L cysteine protease 0.1012 0.2871 0.2871
Echinococcus granulosus cathepsin l1 0.0705 0.1707 0.1707
Trypanosoma cruzi cysteine peptidase, putative 0.1012 0.2871 0.2871
Giardia lamblia Cathepsin B precursor 0.1071 0.3093 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.1071 0.3093 1
Toxoplasma gondii cathepsin CPL 0.1012 0.2871 0.9283
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Plasmodium vivax vivapain-3 0.0561 0.1164 0.4054
Brugia malayi cathepsin L-like precursor 0.0705 0.1707 0.1707
Entamoeba histolytica cysteine proteinase, putative 0.1012 0.2871 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.1012 0.2871 0.9283
Loa Loa (eye worm) fibroinase 0.1012 0.2871 0.2871
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Loa Loa (eye worm) hypothetical protein 0.0308 0.0205 0.0205
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1071 0.3093 1
Brugia malayi Cathepsin L-like precursor 0.0705 0.1707 0.1707
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0561 0.1164 0.1164
Brugia malayi Papain family cysteine protease containing protein 0.1012 0.2871 0.2871
Entamoeba histolytica cysteine proteinase, putative 0.1012 0.2871 1
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1071 0.3093 0.3093
Entamoeba histolytica cysteine protease, putative 0.0561 0.1164 0.4054
Brugia malayi Cathepsin L-like precursor 0.1012 0.2871 0.2871
Onchocerca volvulus 0.0705 0.1707 0.5946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.1012 0.2871 0.9283
Plasmodium vivax unspecified product 0.0561 0.1164 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0561 0.1164 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.1012 0.2871 0.885
Trypanosoma cruzi cruzipain precursor, putative 0.0308 0.0205 0.0205
Brugia malayi cathepsin F-like cysteine proteinase 0.0308 0.0205 0.0205
Schistosoma mansoni cathepsin F (C01 family) 0.1012 0.2871 0.2871
Brugia malayi Cathepsin L-like precursor 0.0705 0.1707 0.1707
Onchocerca volvulus 0.1012 0.2871 1
Echinococcus multilocularis cathepsin L cysteine protease 0.1012 0.2871 0.2871

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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