Detailed information for compound 1604648

Basic information

Technical information
  • TDR Targets ID: 1604648
  • Name: 3-chloro-4-methoxy-N-[4-[2-[5-oxo-2-phenyl-4- (thiophen-2-ylmethylidene)imidazol-1-yl]-1,3- thiazol-4-yl]phenyl]benzenesulfonamide
  • MW: 633.16 | Formula: C30H21ClN4O4S3
  • H donors: 1 H acceptors: 4 LogP: 6.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)c1csc(n1)N1C(=N/C(=C\c2cccs2)/C1=O)c1ccccc1
  • InChi: 1S/C30H21ClN4O4S3/c1-39-27-14-13-23(17-24(27)31)42(37,38)34-21-11-9-19(10-12-21)26-18-41-30(33-26)35-28(20-6-3-2-4-7-20)32-25(29(35)36)16-22-8-5-15-40-22/h2-18,34H,1H3/b25-16-
  • InChiKey: SXXUJRSHCWDCNL-XYGWBWBKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
  • 3-chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(2-thienylmethylene)imidazol-1-yl]thiazol-4-yl]phenyl]benzenesulfonamide
  • 3-chloro-4-methoxy-N-[4-[2-[5-oxo-2-phenyl-4-(2-thienylmethylene)imidazol-1-yl]thiazol-4-yl]phenyl]benzenesulfonamide
  • 3-chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(2-thienylmethylene)-1-imidazolyl]-4-thiazolyl]phenyl]benzenesulfonamide
  • 3-chloro-4-methoxy-N-[4-[2-[5-oxo-2-phenyl-4-(2-thienylmethylene)-1-imidazolyl]-4-thiazolyl]phenyl]benzenesulfonamide
  • 3-chloro-N-[4-[2-[(4Z)-5-keto-2-phenyl-4-(2-thienylmethylene)imidazol-1-yl]thiazol-4-yl]phenyl]-4-methoxy-benzenesulfonamide
  • 3-chloro-N-[4-[2-[5-keto-2-phenyl-4-(2-thienylmethylene)imidazol-1-yl]thiazol-4-yl]phenyl]-4-methoxy-benzenesulfonamide
  • NCI60_040430
  • NSC716945

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 dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0409 0.2857 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0096 0.0092 1
Mycobacterium tuberculosis Probable peptidase 0.0096 0.0092 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0409 0.2857 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0096 0.0092 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0096 0.0092 0.0091
Echinococcus granulosus acylamino acid releasing enzyme 0.0096 0.0092 0.0092
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1216 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0409 0.2857 0.2856
Entamoeba histolytica hypothetical protein, conserved 0.0096 0.0092 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0096 0.0092 0.5
Plasmodium falciparum peptidase, putative 0.0096 0.0092 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0409 0.2857 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0092 0.5
Plasmodium vivax hypothetical protein, conserved 0.0096 0.0092 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0409 0.2857 0.2857
Echinococcus multilocularis prolyl endopeptidase 0.0096 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0312 0.2004 0.193
Giardia lamblia Alanyl dipeptidyl peptidase 0.0096 0.0092 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0096 0.0092 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0096 0.0092 0.0091
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0096 0.0092 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0096 0.0092 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0409 0.2857 0.2857
Loa Loa (eye worm) prolyl oligopeptidase 0.1216 1 1
Echinococcus granulosus prolyl endopeptidase 0.0096 0.0092 0.0092
Brugia malayi prolyl oligopeptidase family protein 0.0409 0.2857 0.2791
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0096 0.0092 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0096 0.0092 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0096 0.0092 0.0092
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1216 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0409 0.2857 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1216 1 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0096 0.0092 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0409 0.2857 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0096 0.0092 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1216 1 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0096 0.0092 0.0091
Brugia malayi hypothetical protein 0.0312 0.2004 0.193
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0409 0.2857 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0096 0.0092 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0096 0.0092 0.0091

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.667 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) -4.647 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) -4.611 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) -4.551 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) -4.491 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.467 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) -4.451 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) -4.389 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
GI50 (functional) -4.375 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) -4.266 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) -4.179 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal 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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