Detailed information for compound 1624765

Basic information

Technical information
  • TDR Targets ID: 1624765
  • Name: N-[(2,4,6-trimethylphenyl)methylideneamino]be nzenesulfonamide
  • MW: 302.391 | Formula: C16H18N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c(c(c1)C)/C=N/NS(=O)(=O)c1ccccc1
  • InChi: 1S/C16H18N2O2S/c1-12-9-13(2)16(14(3)10-12)11-17-18-21(19,20)15-7-5-4-6-8-15/h4-11,18H,1-3H3/b17-11+
  • InChiKey: PGXZDRRNQRSPFM-GZTJUZNOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2,4,6-trimethylphenyl)methyleneamino]benzenesulfonamide
  • N-[(2,4,6-trimethylbenzylidene)amino]benzenesulfonamide
  • NCI60_006937
  • AIDS-131331
  • AIDS131331
  • N'-(Mesitylmethylene)benzenesulfonohydrazide
  • NSC623231

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
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.1328 0.4754 1
Echinococcus granulosus geminin 0.0179 0.0356 0.075
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0144 0.0221 0.0223
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.1145 0.4055 0.5183
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0151 0.0249 0.0308
Schistosoma mansoni hypothetical protein 0.0179 0.0356 0.075
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0144 0.0221 0.0465
Mycobacterium ulcerans hypothetical protein 0.0144 0.0221 0.0271
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0576 0.1874 0.2389
Trichomonas vaginalis conserved hypothetical protein 0.0429 0.1312 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0923 0.3206 0.5862
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0438 0.1346 0.1713
Mycobacterium tuberculosis Polyketide synthase Pks13 0.2128 0.7816 1
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0144 0.0221 0.2059
Echinococcus granulosus Malonyl coenzyme A acyl carrier protein transacylase 0.009 0.0014 0.003
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.1337 0.479 0.6125
Brugia malayi AMP-binding enzyme family protein 0.1337 0.479 0.4786
Loa Loa (eye worm) hypothetical protein 0.0218 0.0506 0.0564
Mycobacterium ulcerans acyl carrier protein 0.0144 0.0221 0.0271
Onchocerca volvulus 0.2485 0.9184 0.9673
Loa Loa (eye worm) hypothetical protein 0.0101 0.0058 0.0056
Plasmodium vivax acyl carrier protein, putative 0.0144 0.0221 0.2016
Entamoeba histolytica acyl-CoA synthetase, putative 0.0145 0.0225 0.701
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0275 0.0722 0.0914
Loa Loa (eye worm) acyl carrier protein 0.0144 0.0221 0.024
Treponema pallidum hypothetical protein 0.0275 0.0722 1
Brugia malayi AMP-binding enzyme family protein 0.0439 0.135 0.1342
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0348 0.1002 0.1272
Toxoplasma gondii type I fatty acid synthase, putative 0.1013 0.355 0.6493
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0151 0.0249 0.0308
Mycobacterium tuberculosis Conserved protein 0.0429 0.1312 0.1669
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0151 0.0249 0.0308
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0145 0.0225 0.0277
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0357 0.1038 0.2184
Mycobacterium ulcerans polyketide synthase MbtD 0.0438 0.1346 0.1713
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0357 0.1038 0.1167
Mycobacterium leprae Polyketide synthase Pks13 0.2128 0.7816 1
Echinococcus granulosus NADH dehydrogenase 0.0144 0.0221 0.0465
Onchocerca volvulus Fatty acid synthase homolog 0.2566 0.9494 1
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0144 0.0221 0.0271
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0275 0.0722 0.6913
Loa Loa (eye worm) fatty acid synthase 0.1405 0.5048 0.5712
Mycobacterium ulcerans polyketide synthase Pks9 0.0941 0.3274 0.4183
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0204 0.0452 0.4269
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.0602 0.0759
Onchocerca volvulus 0.0151 0.0249 0.0253
Leishmania major hypothetical protein, conserved 0.0429 0.1312 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0151 0.0249 0.0308
Echinococcus multilocularis geminin 0.0179 0.0356 0.075
Schistosoma mansoni hypothetical protein 0.0179 0.0356 0.075
Schistosoma mansoni hypothetical protein 0.0144 0.0221 0.0465
Mycobacterium ulcerans acyl-CoA synthetase 0.0151 0.0249 0.0308
Mycobacterium tuberculosis Hypothetical protein 0.0429 0.1312 0.1669
Echinococcus multilocularis AMP dependent ligase 0.0145 0.0225 0.0473
Onchocerca volvulus 0.1337 0.479 0.5041
Mycobacterium ulcerans acyl carrier protein 0.0144 0.0221 0.0271
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.1512 0.5459 0.6981
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0275 0.0722 0.6913
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.2128 0.7816 1
Mycobacterium ulcerans polyketide synthase 0.1423 0.512 0.6547
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0218 0.0506 0.0637
Mycobacterium leprae Probable polyketide synthase Pks1 0.1512 0.5459 0.6981
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0357 0.1038 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0169 0.0317 1
Echinococcus multilocularis Malonyl coenzyme A acyl carrier protein transacylase 0.009 0.0014 0.003
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0144 0.0221 0.0271
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0357 0.1038 1
Mycobacterium ulcerans thioesterase TesA 0.1186 0.4212 0.5384
Toxoplasma gondii type I fatty acid synthase, putative 0.1513 0.5463 1
Giardia lamblia Methyltransferase like 2 0.0429 0.1312 0.5
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0357 0.1038 0.2184
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.1512 0.5459 0.6981
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.072 0.2429 0.4437
Mycobacterium ulcerans Type I modular polyketide synthase 0.1423 0.512 0.6547
Echinococcus multilocularis fibroblast growth factor receptor 4 0.1328 0.4754 1
Mycobacterium ulcerans polyketide synthase Pks13 0.2128 0.7816 1
Schistosoma mansoni tyrosine kinase 0.1328 0.4754 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.138 0.4953 0.6333
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1423 0.512 0.6547
Mycobacterium ulcerans Type I modular polyketide synthase 0.1423 0.512 0.6547
Mycobacterium ulcerans malonyl CoA-acyl carrier protein transacylase FabD 0.009 0.0014 0.0007
Toxoplasma gondii type I fatty acid synthase 0.0218 0.0506 0.0912
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0809 0.2769 0.3535
Mycobacterium ulcerans Type I modular polyketide synthase 0.1423 0.512 0.6547
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0218 0.0506 0.0637
Wolbachia endosymbiont of Brugia malayi ACP S-malonyltransferase 0.009 0.0014 0.0053
Loa Loa (eye worm) hypothetical protein 0.0798 0.2724 0.3078
Brugia malayi Phosphopantetheine attachment site family protein 0.0144 0.0221 0.0212
Mycobacterium leprae Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0145 0.0225 0.0277
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0144 0.0221 0.2059
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0357 0.1038 0.1319
Plasmodium vivax hypothetical protein, conserved 0.0204 0.0452 0.4269
Chlamydia trachomatis acyl carrier protein 0.0144 0.0221 0.2016
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.1512 0.5459 0.6981
Echinococcus granulosus acyl carrier protein mitochondrial 0.0144 0.0221 0.0465
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0489 0.1544 0.1966
Echinococcus granulosus fibroblast growth factor receptor 4 0.1328 0.4754 1
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0145 0.0225 0.0277
Trypanosoma cruzi acyl transferase-like protein 0.009 0.0014 0.0053
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0447 0.1382 0.1759
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.1328 0.4754 1
Mycobacterium ulcerans polyketide synthase 0.1512 0.5459 0.6981
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0218 0.0506 0.0637
Toxoplasma gondii acyl carrier protein ACP 0.0144 0.0221 0.0389
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0357 0.1038 0.1319
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0858 0.2953 0.6213
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0145 0.0225 0.0277
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0218 0.0506 0.0637
Brugia malayi Methyltransferase-like protein 4 0.0429 0.1312 0.1304
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.138 0.4953 0.6333
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0941 0.3274 0.4183
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0218 0.0506 0.0637
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0357 0.1038 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0151 0.0249 0.024
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.1164 0.4127 0.5275
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0357 0.1038 1
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0357 0.1038 0.2184
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0144 0.0221 0.0212
Echinococcus multilocularis roundabout 2 0.0101 0.0058 0.0122
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0941 0.3274 0.4183
Plasmodium falciparum acyl carrier protein 0.0144 0.0221 0.2016
Mycobacterium ulcerans thioesterase 0.1186 0.4212 0.5384
Trypanosoma brucei acyl transferase-like protein 0.009 0.0014 0.0053
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0151 0.0249 0.0308
Mycobacterium leprae conserved hypothetical protein 0.0144 0.0221 0.0271
Schistosoma mansoni [ACP] S-malonyltransferase 0.009 0.0014 0.003
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0357 0.1038 0.1887
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0151 0.0249 0.0308
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0447 0.1382 0.1759
Schistosoma mansoni [ACP] S-malonyltransferase 0.009 0.0014 0.003
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0151 0.0249 0.0308
Brugia malayi Immunoglobulin I-set domain containing protein 0.1367 0.4905 0.49
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1423 0.512 0.6547
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0151 0.0249 0.0308
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0088 0.0009 0.0019
Schistosoma mansoni acyl carrier protein 0.0144 0.0221 0.0465
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.1512 0.5459 0.6981
Mycobacterium tuberculosis Probable thioesterase TesA 0.1186 0.4212 0.5384
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0144 0.0221 0.2059
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.1512 0.5459 0.6981
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0088 0.0009 0.0019
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1423 0.512 0.6547
Leishmania major hypothetical protein, conserved 0.009 0.0014 0.0042
Schistosoma mansoni methyltransferase-related 0.0429 0.1312 0.276
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0357 0.1038 0.103
Brugia malayi ADP-specific Phosphofructokinase/Glucokinase conserved region family protein 0.009 0.0014 0.0005
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.1423 0.512 0.5116
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0144 0.0221 0.0271
Mycobacterium ulcerans fatty acid synthase Fas 0.0447 0.1382 0.1759
Echinococcus multilocularis NADH dehydrogenase 0.0144 0.0221 0.0465
Trypanosoma cruzi acyl transferase-like protein, putative 0.009 0.0014 0.0053
Loa Loa (eye worm) hypothetical protein 0.0218 0.0506 0.0564
Mycobacterium tuberculosis Conserved hypothetical protein 0.0144 0.0221 0.0271
Loa Loa (eye worm) TK protein kinase 0.1367 0.4905 0.5551
Loa Loa (eye worm) hypothetical protein 0.0101 0.0058 0.0056
Toxoplasma gondii acyl transferase domain-containing protein 0.009 0.0014 0.001
Schistosoma mansoni zinc binding dehydrogenase 0.0088 0.0009 0.0019
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.1145 0.4055 0.5183
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.1423 0.512 0.6547
Mycobacterium tuberculosis Polyketide synthase Pks12 0.1512 0.5459 0.6981
Echinococcus granulosus roundabout 2 0.0101 0.0058 0.0122
Loa Loa (eye worm) AMP-binding enzyme family protein 0.1337 0.479 0.5421
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.1145 0.4055 0.5183
Schistosoma mansoni alcohol dehydrogenase 0.0088 0.0009 0.0019
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0151 0.0249 0.0308
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.1423 0.512 0.6547
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0357 0.1038 1
Loa Loa (eye worm) hypothetical protein 0.2392 0.8829 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.1512 0.5459 0.6981
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0357 0.1038 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0014 0.0006
Loa Loa (eye worm) acyl carrier protein 0.0655 0.2176 0.2457
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.1023 0.3585 0.4581
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.1423 0.512 0.6547
Mycobacterium ulcerans polyketide synthase MbtC 0.0357 0.1038 0.1319
Leishmania major acyl carrier protein, putative 0.0144 0.0221 0.1626
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0357 0.1038 0.7899
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0357 0.1038 1
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0275 0.0722 0.0914
Echinococcus granulosus AMP dependent ligase 0.0145 0.0225 0.0473
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.1186 0.4212 0.5384
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0275 0.0722 0.0914
Schistosoma mansoni [ACP] S-malonyltransferase 0.009 0.0014 0.003
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0144 0.0221 0.024

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.44 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
GI50 (functional) -4.265 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) -4.175 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) -4.142 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) -4.038 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) -4.035 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 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 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma 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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