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

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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