Detailed information for compound 1509801

Basic information

Technical information
  • TDR Targets ID: 1509801
  • Name: 1-[(1-methyl-2-oxoindol-3-ylidene)amino]-3-ph enylthiourea
  • MW: 310.374 | Formula: C16H14N4OS
  • H donors: 2 H acceptors: 1 LogP: 3.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccccc1)N/N=C\1/c2ccccc2N(C1=O)C
  • InChi: 1S/C16H14N4OS/c1-20-13-10-6-5-9-12(13)14(15(20)21)18-19-16(22)17-11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,19,22)/b18-14-
  • InChiKey: LJROMFVCMPFPBP-JXAWBTAJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(1-methyl-2-oxo-indolin-3-ylidene)amino]-3-phenyl-thiourea
  • 1-[(1-methyl-2-oxo-3-indolinylidene)amino]-3-phenylthiourea
  • 1-[(2-keto-1-methyl-indolin-3-ylidene)amino]-3-phenyl-thiourea
  • 1-[(1-methyl-2-oxo-indol-3-ylidene)amino]-3-phenyl-thiourea
  • ZINC04468003
  • BAS 00348524
  • ZINC00042639

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0179 0.1084 0.1084
Schistosoma mansoni nuclear receptor 0.0179 0.1084 0.1741
Schistosoma mansoni retinoic acid receptor RXR 0.0541 0.4174 0.7195
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0437 0.3287 0.3287
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0098 0.1936
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0437 0.3287 0.3287
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0437 0.3287 0.5629
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0217 0.1401 1
Toxoplasma gondii hypothetical protein 0.0076 0.0199 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0179 0.1084 0.1084
Brugia malayi hypothetical protein 0.0106 0.0453 0.0453
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0437 0.3287 0.3287
Echinococcus granulosus presenilin 0.0217 0.1401 0.2178
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0437 0.3287 0.3287
Brugia malayi nuclear receptor NHR-67 0.0179 0.1084 0.1084
Onchocerca volvulus 0.0437 0.3287 0.247
Brugia malayi gamma-secretase subunit pen-2 0.0203 0.1287 0.1287
Echinococcus multilocularis nuclear receptor nhr 48 0.0179 0.1084 0.1741
Brugia malayi nuclear hormone receptor 0.0179 0.1084 0.1084
Brugia malayi Nuclear hormone receptor-like 1 0.0258 0.1754 0.1754
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0098 0.0183
Schistosoma mansoni RAR-like nuclear receptor 0.0437 0.3287 0.5629
Echinococcus multilocularis presenilin 0.0217 0.1401 0.23
Loa Loa (eye worm) hypothetical protein 0.0437 0.3287 0.3287
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0437 0.3287 0.3287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0437 0.3287 0.3287
Brugia malayi hypothetical protein 0.0258 0.1754 0.1754
Brugia malayi Presenilin-like protein At2g29900 0.0076 0.0199 0.0199
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0098 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0437 0.3287 0.5629
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0437 0.3287 0.3287
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0217 0.1401 1
Brugia malayi nuclear hormone receptor 0.0437 0.3287 0.3287
Echinococcus multilocularis FTZ F1 alpha 0.0437 0.3287 0.5629
Schistosoma mansoni gamma-secretase subunit aph-1 0.0516 0.3961 0.6819
Entamoeba histolytica presenilin 1 peptidase, putative 0.0217 0.1401 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0541 0.4174 0.6816
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0437 0.3287 0.3287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0437 0.3287 0.3287
Echinococcus granulosus microtubule associated protein 2 0.0727 0.5763 0.9472
Loa Loa (eye worm) nuclear receptor NHR-67 0.0179 0.1084 0.1084
Brugia malayi photoreceptor-specific nuclear receptor 0.0437 0.3287 0.3287
Loa Loa (eye worm) nuclear hormone receptor 0.0179 0.1084 0.1084
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0217 0.1401 1
Schistosoma mansoni nuclear hormone receptor 0.0179 0.1084 0.1741
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0437 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Echinococcus granulosus thyroid hormone receptor alpha 0.0764 0.6078 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Brugia malayi Presenilin spe-4 0.0076 0.0199 0.0199
Onchocerca volvulus Protein ultraspiracle homolog 0.0437 0.3287 0.247
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Schistosoma mansoni nuclear receptor 0.0179 0.1084 0.1741
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0437 0.3287 0.5332
Loa Loa (eye worm) hypothetical protein 0.0258 0.1754 0.1754
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0437 0.3287 0.247
Brugia malayi hypothetical protein 0.0076 0.0199 0.0199
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0258 0.1754 0.2923
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0437 0.3287 0.5629
Brugia malayi hypothetical protein 0.0258 0.1754 0.1754
Schistosoma mansoni thyroid hormone receptor 0.057 0.442 0.7629
Loa Loa (eye worm) hypothetical protein 0.0106 0.0453 0.0453
Brugia malayi Presenilin family protein 0.0217 0.1401 0.1401
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0258 0.1754 0.2923
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0179 0.1084 0.1741
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0437 0.3287 0.5629
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0203 0.1287 0.1287
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0437 0.3287 0.5629
Brugia malayi Presenilin spe-4 0.0076 0.0199 0.0199
Echinococcus multilocularis Nicastrin 0.0106 0.0453 0.0626
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0437 0.3287 0.5332
Echinococcus granulosus Nicastrin 0.0106 0.0453 0.0593
Schistosoma mansoni steroid hormone receptor ad4bp 0.0437 0.3287 0.5629
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0098 0.5
Echinococcus granulosus gamma secretase subunit aph 1 0.0516 0.3961 0.6459
Loa Loa (eye worm) hypothetical protein 0.0437 0.3287 0.3287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0437 0.3287 0.3287
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0437 0.3287 0.3287
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0179 0.1084 0.1649
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0179 0.1084 0.1741
Brugia malayi nuclear hormone receptor family member nhr-6 0.0179 0.1084 0.1084
Loa Loa (eye worm) hypothetical protein 0.0437 0.3287 0.3287
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0217 0.1401 1
Brugia malayi hypothetical protein 0.0179 0.1084 0.1084
Brugia malayi hypothetical protein 0.0106 0.0453 0.0453
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Brugia malayi hypothetical protein 0.0076 0.0199 0.0199
Schistosoma mansoni nuclear hormone receptor 0.0437 0.3287 0.5629
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0437 0.3287 0.5629
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0437 0.3287 0.5332
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0437 0.3287 0.5332
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0437 0.3287 0.3287
Schistosoma mansoni zinc finger protein 0.0179 0.1084 0.1741
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0437 0.3287 0.3287
Schistosoma mansoni microtubule-associated protein tau 0.0727 0.5763 1
Echinococcus granulosus ecdysone induced protein 78C 0.0437 0.3287 0.5332
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0179 0.1084 0.1741
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0283 0.1971 0.3307
Brugia malayi Nuclear hormone receptor E75 0.0179 0.1084 0.1084
Brugia malayi nuclear receptor NHR-88 0.0437 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0258 0.1754 0.1754
Echinococcus granulosus nuclear receptor nhr 48 0.0179 0.1084 0.1649
Brugia malayi Nuclear hormone receptor-like 1 0.0437 0.3287 0.3287
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0098 0.5
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0217 0.1401 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0133 0.0684 0.0981
Brugia malayi Nuclear hormone receptor E75 0.0179 0.1084 0.1084
Loa Loa (eye worm) DR-78 0.0179 0.1084 0.1084
Echinococcus multilocularis Nicastrin 0.0106 0.0453 0.0626
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0098 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.019 0.1176 0.0103
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0179 0.1084 0.1741
Brugia malayi nuclear receptor RXR 0.0258 0.1754 0.1754
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0437 0.3287 0.5629
Schistosoma mansoni coup transcription factor 0.0437 0.3287 0.5629
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0437 0.3287 0.3287
Brugia malayi nuclear receptor RXR 0.0179 0.1084 0.1084
Brugia malayi orphan nuclear receptor NR2E1 0.0179 0.1084 0.1084
Loa Loa (eye worm) hypothetical protein 0.0437 0.3287 0.3287
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0437 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Trypanosoma brucei Aph-1 protein, putative 0.0201 0.1269 0.9012
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0217 0.1401 0.23
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0437 0.3287 0.5629
Brugia malayi nuclear receptor NHR-88 0.0179 0.1084 0.1084
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0258 0.1754 0.1754
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0516 0.3961 0.3961
Loa Loa (eye worm) hypothetical protein 0.0437 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0258 0.1754 0.1754
Loa Loa (eye worm) hypothetical protein 0.0437 0.3287 0.3287
Schistosoma mansoni thyroid hormone receptor 0.057 0.442 0.7629
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0437 0.3287 0.5629
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0179 0.1084 0.1741
Schistosoma mansoni hypothetical protein 0.0133 0.0684 0.1036
Brugia malayi ecdysone receptor 0.0179 0.1084 0.1084
Echinococcus granulosus FTZ F1 alpha 0.0437 0.3287 0.5332
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0179 0.1084 0.1741
Echinococcus granulosus Nuclear hormone receptor HR96 0.0179 0.1084 0.1649
Echinococcus granulosus presenilin enhancer 2 0.0203 0.1287 0.1988
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0217 0.1401 1
Schistosoma mansoni nuclear receptor nhr-48 0.0179 0.1084 0.1741
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0437 0.3287 0.3287
Brugia malayi Presenilin spe-4 0.0076 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Schistosoma mansoni hypothetical protein 0.0106 0.0453 0.0626
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0258 0.1754 0.2769
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0437 0.3287 0.5332
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0437 0.3287 0.5629
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0133 0.0684 0.1036
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0437 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Echinococcus multilocularis presenilin enhancer 2 0.0203 0.1287 0.2099
Loa Loa (eye worm) hypothetical protein 0.0437 0.3287 0.3287
Echinococcus granulosus Nuclear hormone receptor HR96 0.0179 0.1084 0.1649
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0437 0.3287 0.5332
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0437 0.3287 0.5629
Brugia malayi gamma-secretase subunit aph-1 0.0516 0.3961 0.3961
Loa Loa (eye worm) hypothetical protein 0.0258 0.1754 0.1754
Brugia malayi hypothetical protein 0.0179 0.1084 0.1084
Echinococcus multilocularis gamma secretase subunit aph 1 0.0516 0.3961 0.6819
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0179 0.1084 0.1649
Loa Loa (eye worm) hypothetical protein 0.019 0.1176 0.1176
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0258 0.1754 0.2923
Brugia malayi Nuclear hormone receptor-like 1 0.0258 0.1754 0.1754
Brugia malayi tailless protein 0.0179 0.1084 0.1084
Echinococcus multilocularis microtubule associated protein 2 0.0727 0.5763 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0437 0.3287 0.5629
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0437 0.3287 0.3287
Loa Loa (eye worm) hypothetical protein 0.0179 0.1084 0.1084
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0217 0.1401 1
Brugia malayi steroid hormone receptor 0.1022 0.8281 0.8281
Loa Loa (eye worm) steroid hormone receptor 0.1022 0.8281 0.8281
Brugia malayi N-terminal motif family protein 0.019 0.1176 0.1176
Brugia malayi hypothetical protein 0.0076 0.0199 0.0199
Brugia malayi nuclear hormone receptor family member odr-7 0.0179 0.1084 0.1084
Echinococcus multilocularis thyroid hormone receptor alpha 0.057 0.442 0.7629
Brugia malayi Steroid receptor seven-up type 2 0.0437 0.3287 0.3287
Loa Loa (eye worm) presenilin spe-4 0.0076 0.0199 0.0199
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0437 0.3287 0.5629
Loa Loa (eye worm) hypothetical protein 0.0258 0.1754 0.1754
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0437 0.3287 0.3287
Schistosoma mansoni nuclear hormone receptor 0.0179 0.1084 0.1741
Brugia malayi conserved hypotetical protein 0.0179 0.1084 0.1084

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 25 uM Cytotoxicity against human RD cells ChEMBL. 21356589

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.

External resources for this compound

Bibliographic References

No literature references available for this target.

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