Detailed information for compound 1589697

Basic information

Technical information
  • TDR Targets ID: 1589697
  • Name: 2-methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[ (4-phenylphenyl)sulfonylamino]quinazoline-6-s ulfonamide
  • MW: 686.777 | Formula: C33H26N4O7S3
  • H donors: 2 H acceptors: 7 LogP: 5.08 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1nc2ccc(cc2c(=O)n1NS(=O)(=O)c1ccc(cc1)c1ccccc1)S(=O)(=O)NS(=O)(=O)c1ccc(cc1)c1ccccc1
  • InChi: 1S/C33H26N4O7S3/c1-23-34-32-21-20-30(47(43,44)36-46(41,42)29-18-14-27(15-19-29)25-10-6-3-7-11-25)22-31(32)33(38)37(23)35-45(39,40)28-16-12-26(13-17-28)24-8-4-2-5-9-24/h2-22,35-36H,1H3
  • InChiKey: CAONZYFPXZOWDB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]-6-quinazolinesulfonamide
  • 4-keto-2-methyl-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide
  • NCI60_031674
  • AIDS-150565
  • AIDS150565
  • N-([1,1'-Biphenyl]-4-ylsulfonyl)-3-(([1,1'-biphenyl]-4-ylsulfonyl)amino)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinesulfonamide
  • NSC687786

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 Immunoglobulin I-set domain containing protein 0.0243 0.038 0.1282
Echinococcus granulosus defective proboscis extension response 0.0239 0.0372 0.0527
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1598 0.2964 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0239 0.0372 0.0368
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0015 0.0052
Schistosoma mansoni roundabout 0.0051 0.0015 0.0011
Loa Loa (eye worm) cytochrome P450 family protein 0.0387 0.0655 0.2208
Echinococcus granulosus cytochrome P450 2K1 0.0236 0.0367 0.052
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0055 0.0023 0.0019
Echinococcus granulosus Immunoglobulin 0.0239 0.0372 0.0527
Loa Loa (eye worm) TK protein kinase 0.016 0.0222 0.075
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0236 0.0367 0.5
Loa Loa (eye worm) hypothetical protein 0.0239 0.0372 0.1256
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0015 0.0052
Echinococcus granulosus roundabout 2 0.0294 0.0478 0.0679
Brugia malayi hypothetical protein 0.0243 0.038 0.1282
Brugia malayi serine/threonine-protein kinase 6 0.0672 0.1199 0.4046
Brugia malayi cytochrome P450 0.0236 0.0367 0.1239
Loa Loa (eye worm) hypothetical protein 0.029 0.047 0.1587
Loa Loa (eye worm) hypothetical protein 0.0051 0.0015 0.0052
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0055 0.0023 0.0078
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0023 0.0078
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0051 0.0015 0.0011
Echinococcus multilocularis hemicentin 1 0.0051 0.0015 0.0016
Schistosoma mansoni hypothetical protein 0.0236 0.0367 0.0363
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0236 0.0367 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0015 0.0052
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.3706 0.6983 1
Trypanosoma brucei aurora B kinase 0.0672 0.1199 0.3204
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0236 0.0367 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0239 0.0372 0.0527
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1598 0.2964 1
Schistosoma mansoni cell adhesion molecule 0.0055 0.0023 0.0019
Loa Loa (eye worm) CYP4Cod1 0.0387 0.0655 0.2208
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0015 0.0052
Echinococcus granulosus hemicentin 1 0.0051 0.0015 0.0016
Loa Loa (eye worm) AUR protein kinase 0.0672 0.1199 0.4046
Schistosoma mansoni septate junction protein 0.0051 0.0015 0.0011
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0236 0.0367 0.5
Loa Loa (eye worm) hypothetical protein 0.0243 0.038 0.1282
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0055 0.0023 0.0027
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0387 0.0655 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0055 0.0023 0.0027
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.3706 0.6983 1
Brugia malayi Cytochrome P450 family protein 0.0892 0.1619 0.5462
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0236 0.0367 0.5
Echinococcus granulosus fibroblast growth factor receptor 4 0.0134 0.0173 0.0242
Onchocerca volvulus Tyrosine kinase homolog 0.121 0.2225 0.7504
Trichomonas vaginalis CAMK family protein kinase 0.1598 0.2964 1
Echinococcus multilocularis roundabout 2 0.0055 0.0023 0.0027
Trypanosoma cruzi aurora B kinase, putative 0.0672 0.1199 0.3204
Loa Loa (eye worm) hypothetical protein 0.029 0.047 0.1587
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.005 0.0013 0.0012
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0236 0.0367 0.5
Brugia malayi Peroxidasin 0.0052 0.0016 0.0054
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0134 0.0173 0.0242
Loa Loa (eye worm) hypothetical protein 0.0051 0.0015 0.0052
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0264 0.0421 0.0597
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0023 0.0078
Echinococcus granulosus neuroglian 0.0055 0.0023 0.0027
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0236 0.0367 0.5
Echinococcus multilocularis roundabout 2 0.0294 0.0478 0.0679
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0236 0.0367 0.5
Loa Loa (eye worm) hypothetical protein 0.0243 0.038 0.1282
Loa Loa (eye worm) AUR protein kinase 0.0672 0.1199 0.4046
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0672 0.1199 0.1712
Schistosoma mansoni neuroglian 0.0055 0.0023 0.0019
Loa Loa (eye worm) hypothetical protein 0.0052 0.0016 0.0054
Loa Loa (eye worm) cytochrome P450 family protein 0.0892 0.1619 0.5462
Schistosoma mansoni tyrosine kinase 0.0075 0.0061 0.0057
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0051 0.0015 0.0052
Brugia malayi Cytochrome P450 family protein 0.0236 0.0367 0.1239
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1598 0.2964 0.4241
Echinococcus multilocularis hemicentin 1 0.0051 0.0015 0.0016
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.005 0.0013 0.0012
Schistosoma mansoni cytochrome P450 0.0236 0.0367 0.0363
Echinococcus granulosus tyrosine protein kinase otk 0.0051 0.0015 0.0016
Brugia malayi serine/threonine-protein kinase plk-2 0.1598 0.2964 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0239 0.0372 0.0368
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0236 0.0367 0.5
Loa Loa (eye worm) cytochrome P450 0.0236 0.0367 0.1239
Echinococcus multilocularis tyrosine protein kinase otk 0.0051 0.0015 0.0016
Leishmania major cytochrome p450-like protein 0.0387 0.0655 0.1107
Brugia malayi Cytochrome P450 family protein 0.0387 0.0655 0.2208
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0134 0.0173 0.0242
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0236 0.0367 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0051 0.0015 0.0052
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0046 0.0004 0.0014
Brugia malayi serine/threonine protein kinase 6 0.0672 0.1199 0.4046
Trichomonas vaginalis CAMK family protein kinase 0.1598 0.2964 1
Brugia malayi protein unc-22 0.0046 0.0004 0.0014
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0055 0.0023 0.0027
Brugia malayi Immunoglobulin I-set domain containing protein 0.016 0.0222 0.075
Trypanosoma brucei polo-like protein kinase 0.1598 0.2964 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0055 0.0023 0.0027
Loa Loa (eye worm) hypothetical protein 0.0051 0.0015 0.0052
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0236 0.0367 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1448 0.2679 0.904
Schistosoma mansoni cell adhesion molecule 0.0055 0.0023 0.0019
Trichomonas vaginalis CAMK family protein kinase 0.1598 0.2964 1
Schistosoma mansoni serine/threonine protein kinase 0.1598 0.2964 0.2961
Schistosoma mansoni cell adhesion molecule 0.0051 0.0015 0.0011
Trichomonas vaginalis CAMK family protein kinase 0.1598 0.2964 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0015 0.0052
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0134 0.0173 0.0242
Echinococcus granulosus aurora kinase A 0.0672 0.1199 0.1712
Loa Loa (eye worm) hypothetical protein 0.0239 0.0373 0.1258
Trypanosoma cruzi polo-like protein kinase, putative 0.1598 0.2964 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0236 0.0367 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0015 0.0052
Trichomonas vaginalis CAMK family protein kinase 0.1598 0.2964 1
Echinococcus multilocularis neuroglian 0.0055 0.0023 0.0027
Onchocerca volvulus Serine\/threonine kinase homolog 0.1598 0.2964 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0046 0.0004 0.0014
Brugia malayi Prion-like- 0.0051 0.0015 0.0052
Echinococcus granulosus lachesin 0.0051 0.0015 0.0016
Onchocerca volvulus 0.116 0.213 0.7182
Schistosoma mansoni protein kinase 0.0672 0.1199 0.1195
Trypanosoma brucei cytochrome P450, putative 0.0387 0.0655 0.1107
Loa Loa (eye worm) hypothetical protein 0.0239 0.0372 0.1256
Brugia malayi Immunoglobulin I-set domain containing protein 0.1448 0.2679 0.904
Loa Loa (eye worm) hypothetical protein 0.0055 0.0023 0.0078
Schistosoma mansoni vesicular amine transporter 0.0239 0.0372 0.0368
Echinococcus multilocularis aurora kinase A 0.0672 0.1199 0.1712
Brugia malayi Fibronectin type III domain containing protein 0.0243 0.038 0.1282
Echinococcus multilocularis Immunoglobulin 0.0239 0.0372 0.0527
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0071 0.0053 0.0178
Schistosoma mansoni nephrin 0.0269 0.0429 0.0425
Echinococcus multilocularis peroxidasin 0.0052 0.0016 0.0017
Echinococcus multilocularis neuroglian 0.0265 0.0422 0.0598
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0672 0.1199 0.1712
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0051 0.0015 0.0016
Loa Loa (eye worm) hypothetical protein 0.0051 0.0015 0.0052
Trichomonas vaginalis CAMK family protein kinase 0.1598 0.2964 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0236 0.0367 0.5
Echinococcus granulosus roundabout 2 0.0055 0.0023 0.0027
Loa Loa (eye worm) hypothetical protein 0.0353 0.0591 0.1994
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0236 0.0367 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0236 0.0367 0.5
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0051 0.0015 0.0038
Echinococcus multilocularis lachesin 0.0051 0.0015 0.0016
Loa Loa (eye worm) TK/ROR protein kinase 0.005 0.0013 0.0043
Giardia lamblia Kinase, PLK 0.1598 0.2964 1
Brugia malayi Cytochrome P450 family protein 0.0387 0.0655 0.2208
Schistosoma mansoni titin 0.0051 0.0015 0.0011
Echinococcus multilocularis 0.0236 0.0367 0.052
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0236 0.0367 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0387 0.0655 0.1107
Schistosoma mansoni serine/threonine protein kinase 0.0672 0.1199 0.1195
Loa Loa (eye worm) hypothetical protein 0.0243 0.038 0.1282
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0236 0.0367 0.5
Schistosoma mansoni tyrosine kinase 0.0134 0.0173 0.0169
Plasmodium falciparum serine/threonine protein kinase, putative 0.0672 0.1199 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0672 0.1199 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1598 0.2964 0.4241
Brugia malayi Immunoglobulin I-set domain containing protein 0.0055 0.0023 0.0078
Trichomonas vaginalis CAMK family protein kinase 0.1598 0.2964 1
Mycobacterium leprae putative cytochrome p450 0.0236 0.0367 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.0205 0.0691
Leishmania major protein kinase, putative 0.0672 0.1199 0.3204
Loa Loa (eye worm) hypothetical protein 0.0264 0.0421 0.142
Schistosoma mansoni cell adhesion molecule 0.0268 0.0429 0.0424
Toxoplasma gondii aurora kinase 0.0672 0.1199 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0055 0.0023 0.0027
Brugia malayi hypothetical protein 0.0353 0.0591 0.1994
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0236 0.0367 0.5
Echinococcus granulosus roundabout 2 0.0055 0.0023 0.0027
Loa Loa (eye worm) hypothetical protein 0.0051 0.0015 0.0052
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0015 0.0052
Loa Loa (eye worm) cytochrome P450 family protein 0.0387 0.0655 0.2208
Echinococcus granulosus neuroglian 0.0265 0.0422 0.0598
Echinococcus granulosus contactin 0.0055 0.0023 0.0027
Loa Loa (eye worm) CAMK protein kinase 0.0046 0.0004 0.0014
Mycobacterium leprae Conserved hypothetical protein 0.0236 0.0367 0.5
Echinococcus granulosus peroxidasin 0.0052 0.0016 0.0017
Echinococcus multilocularis roundabout 2 0.0055 0.0023 0.0027
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0236 0.0367 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.1598 0.2964 1
Brugia malayi serine/threonine kinase 12 0.0672 0.1199 0.4046
Schistosoma mansoni septate junction protein 0.0051 0.0015 0.0011
Entamoeba histolytica serine/threonine protein kinase, putative 0.1598 0.2964 1
Echinococcus granulosus twitchin 0.028 0.0452 0.0641
Loa Loa (eye worm) AUR protein kinase 0.0672 0.1199 0.4046
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0236 0.0367 0.5
Schistosoma mansoni nephrin 0.0055 0.0023 0.0019
Echinococcus multilocularis Immunoglobulin 0.0239 0.0372 0.0527
Trypanosoma cruzi cytochrome P450, putative 0.0387 0.0655 0.1107

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.63 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 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast 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 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 NCI-H23 Non-Small Cell Lung 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 UO-31 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 HL-60(TB) Leukemia 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 DU-145 Prostate 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 SF-539 Central Nervous System 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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