Detailed information for compound 1593580

Basic information

Technical information
  • TDR Targets ID: 1593580
  • Name: 10-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]p henothiazine-1-carbonitrile
  • MW: 418.508 | Formula: C24H22N2O3S
  • H donors: 0 H acceptors: 1 LogP: 5.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(ccc2c1N(C)c1c(S2)cccc1)Cc1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C24H22N2O3S/c1-26-18-7-5-6-8-21(18)30-22-10-9-16(17(14-25)23(22)26)11-15-12-19(27-2)24(29-4)20(13-15)28-3/h5-10,12-13H,11H2,1-4H3
  • InChiKey: KUWACKAFOGCBMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 10-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1-phenothiazinecarbonitrile
  • 10-methyl-2-(3,4,5-trimethoxybenzyl)phenothiazine-1-carbonitrile
  • 1-Cyano-2-(3',4',5'-trimethoxybenzyl)-10-N-methylphenothiazine
  • 10-Methyl-2-(3,4,5-trimethoxybenzyl)-10H-phenothiazine-1-carbonitrile
  • NCI60_018603
  • AIDS140643
  • NSC653255
  • AIDS-140643

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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0924 0.5501
Loa Loa (eye worm) hypothetical protein 0.0092 0.1535 0.1535
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Echinococcus multilocularis muscleblind protein 1 0.0303 0.5497 0.5497
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0199 0.0199
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0199 0.0199
Echinococcus granulosus dnaJ subfamily B 0.0398 0.7293 0.7293
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0541 0.0541
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0199 0.0199
Brugia malayi Carboxylesterase family protein 0.0092 0.1535 0.1535
Loa Loa (eye worm) hypothetical protein 0.0092 0.1535 0.1535
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0199 0.0199
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0199 0.0199
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.003 0.003
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0199 0.0199
Schistosoma mansoni neuroligin 3 (S09 family) 0.0092 0.1535 0.1535
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0924 0.0924
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0199 0.0199
Schistosoma mansoni thyroid hormone receptor 0.002 0.0199 0.0199
Brugia malayi AF-10 protein 0.001 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0542 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0092 0.1535 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0017 0.0017
Brugia malayi Muscleblind-like protein 0.0303 0.5497 0.5497
Loa Loa (eye worm) acetylcholinesterase 1 0.0542 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.1535 0.1535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0199 0.0199
Mycobacterium ulcerans carboxylesterase, LipT 0.0092 0.1535 1
Loa Loa (eye worm) carboxylesterase 0.0542 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.168 0.168
Loa Loa (eye worm) carboxylesterase 0.0092 0.1535 0.1535
Loa Loa (eye worm) hypothetical protein 0.0092 0.1535 0.1535
Brugia malayi nuclear receptor RXR 0.0011 0.0017 0.0017
Echinococcus multilocularis dnaJ subfamily B 0.0398 0.7293 0.7293
Loa Loa (eye worm) hypothetical protein 0.0012 0.0032 0.0032
Brugia malayi steroid hormone receptor 0.002 0.0199 0.0199
Brugia malayi nuclear receptor NHR-88 0.002 0.0199 0.0199
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.1701 0.1701
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0092 0.1535 0.1535
Schistosoma mansoni cpg binding protein 0.003 0.0369 0.0369
Echinococcus multilocularis peregrin 0.0031 0.039 0.039
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0017 0.0017
Plasmodium falciparum phd finger protein, putative 0.0031 0.039 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0092 0.1535 0.846
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0199 0.0199
Echinococcus granulosus para nitrobenzyl esterase 0.0092 0.1535 0.1535
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.001 0.0002 0.0014
Giardia lamblia Kinase, PLK 0.0099 0.168 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.1701 0.1701
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0199 0.0199
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0199 0.0199
Schistosoma mansoni coup transcription factor 0.002 0.0199 0.0199
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Echinococcus granulosus neuroligin 0.0092 0.1535 0.1535
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0809 0.8752
Brugia malayi Carboxylesterase family protein 0.0542 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0199 0.0199
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0339 0.0339
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0199 0.0199
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.168 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0542 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0017 0.0017
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0092 0.1535 0.846
Echinococcus multilocularis carboxylesterase 5A 0.0542 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0924 0.0924
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0616 0.0616
Trypanosoma brucei polo-like protein kinase 0.0099 0.168 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1535 0.1535
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0541 0.0541
Schistosoma mansoni jumonji domain containing protein 0.008 0.1313 0.1313
Onchocerca volvulus 0.0092 0.1535 0.902
Onchocerca volvulus 0.0092 0.1535 0.902
Onchocerca volvulus 0.0092 0.1535 0.902
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0034 0.0881
Onchocerca volvulus 0.0092 0.1535 0.902
Schistosoma mansoni acetylcholinesterase 0.0092 0.1535 0.1535
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0199 0.0199
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0541 0.0541
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.1003 0.1003
Schistosoma mansoni kinase 0.005 0.0763 0.0763
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.168 1
Toxoplasma gondii PHD-finger domain-containing protein 0.001 0.0002 0.0025
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Onchocerca volvulus 0.0028 0.0339 0.0949
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.168 1
Brugia malayi Carboxylesterase family protein 0.0092 0.1535 0.1535
Mycobacterium tuberculosis Carboxylesterase LipT 0.0092 0.1535 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0924 0.0924
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0199 0.0199
Brugia malayi PHD-finger family protein 0.0031 0.039 0.039
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0092 0.1535 0.1535
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0541 0.0541
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.001 0.0002 0.0025
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0199 0.0199
Echinococcus granulosus cpg binding protein 0.003 0.0369 0.0369
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0017 0.0017
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0511 0.0511
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.168 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0199 0.0199
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0199 0.0199
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0616 0.0616
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0924 0.0924
Brugia malayi Bromodomain containing protein 0.0031 0.039 0.039
Echinococcus multilocularis acetylcholinesterase 0.0542 1 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1535 0.1535
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0928 0.0928
Echinococcus granulosus FTZ F1 alpha 0.002 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0199 0.0199
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0092 0.1535 0.1535
Brugia malayi hypothetical protein 0.0011 0.0017 0.0017
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0017 0.0017
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0092 0.1535 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0199 0.0199
Schistosoma mansoni hypothetical protein 0.0398 0.7293 0.7293
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0199 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0199 0.0199
Schistosoma mansoni hypothetical protein 0.0031 0.039 0.039
Brugia malayi hypothetical protein 0.0092 0.1535 0.1535
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0163 0.0163
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.168 0.168
Echinococcus granulosus acetylcholinesterase 0.0542 1 1
Brugia malayi jmjC domain containing protein 0.01 0.1701 0.1701
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.168 0.168
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0012 0.0034 0.0881
Loa Loa (eye worm) carboxylesterase 0.0092 0.1535 0.1535
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0199 0.0199
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0199 0.0199
Schistosoma mansoni nuclear hormone receptor 0.002 0.0199 0.0199
Brugia malayi Carboxylesterase family protein 0.0092 0.1535 0.1535
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0199 0.0199
Echinococcus multilocularis acetylcholinesterase 0.0542 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0053 0.0802 0.0802
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.039 0.422
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.1535 0.1535
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0199 0.0199
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0303 0.5497 0.5497
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0199 0.0199
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0199 0.0199
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0199 0.0199
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.168 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.168 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0199 0.0199
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0199 0.0199
Brugia malayi nuclear hormone receptor 0.002 0.0199 0.0199
Echinococcus multilocularis cpg binding protein 0.003 0.0369 0.0369
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0199 0.0199
Schistosoma mansoni BC026374 protein (S09 family) 0.0092 0.1535 0.1535
Onchocerca volvulus 0.0092 0.1535 0.902
Loa Loa (eye worm) hypothetical protein 0.0092 0.1535 0.1535
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0092 0.1535 0.1535
Echinococcus multilocularis BC026374 protein (S09 family) 0.0092 0.1535 0.1535
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0017 0.0017
Echinococcus granulosus muscleblind protein 0.0303 0.5497 0.5497
Loa Loa (eye worm) hypothetical protein 0.0542 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.168 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0199 0.0199
Brugia malayi PHD-finger family protein 0.0012 0.0032 0.0032
Schistosoma mansoni cpg binding protein 0.0028 0.0339 0.0339
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.168 1
Echinococcus granulosus carboxylesterase 5A 0.0542 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.168 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.039 0.039
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.001 0.0002 0.0014
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Echinococcus multilocularis neuroligin 0.0092 0.1535 0.1535
Echinococcus granulosus BC026374 protein S09 family 0.0092 0.1535 0.1535
Echinococcus multilocularis para nitrobenzyl esterase 0.0092 0.1535 0.1535
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0133 0.0133
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0199 0.0199
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.039 0.422
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0199 0.0199
Echinococcus granulosus peregrin 0.0031 0.039 0.039
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.168 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0199 0.0199
Plasmodium vivax hypothetical protein, conserved 0.0031 0.039 1
Brugia malayi jmjC domain containing protein 0.0039 0.0541 0.0541
Schistosoma mansoni thyroid hormone receptor 0.002 0.0199 0.0199
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0199 0.0199
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.168 0.168
Schistosoma mansoni hypothetical protein 0.001 0.0002 0.0002
Brugia malayi Carboxylesterase family protein 0.0092 0.1535 0.1535
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0924 1
Echinococcus multilocularis muscleblind protein 0.0303 0.5497 0.5497
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.168 1
Echinococcus granulosus acetylcholinesterase 0.0542 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0017
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.039 0.039
Brugia malayi CXXC zinc finger family protein 0.0028 0.0339 0.0339
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0031 0.039 0.039
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.039 0.039
Schistosoma mansoni gliotactin 0.0092 0.1535 0.1535
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0199 0.0199
Brugia malayi ecdysteroid receptor 0.002 0.0199 0.0199
Onchocerca volvulus Alhambra homolog 0.0031 0.039 0.1292
Brugia malayi hypothetical protein 0.0011 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0303 0.5497 0.5497
Loa Loa (eye worm) hypothetical protein 0.002 0.0199 0.0199
Schistosoma mansoni cpg binding protein 0.003 0.0369 0.0369
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.039 0.039
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.168 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0199 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0199 0.0199
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.168 0.168
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0199 0.0199

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.383 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.864 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.749 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.652 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.51 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.383 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.314 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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