Detailed information for compound 1639691

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.454 | Formula: C19H21N3O2S
  • H donors: 2 H acceptors: 3 LogP: 2.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1nccc(c1)c1cc2c(s1)C1(CCCCC1)CNC2=O
  • InChi: 1S/C19H21N3O2S/c1-12(23)22-16-9-13(5-8-20-16)15-10-14-17(25-15)19(11-21-18(14)24)6-3-2-4-7-19/h5,8-10H,2-4,6-7,11H2,1H3,(H,21,24)(H,20,22,23)
  • InChiKey: CDVWUEFATOLRSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens DBF4 zinc finger Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR006572,Zinc finger, DBF-type,domain-containing Get druggable targets OG5_138500 All targets in OG5_138500
Schistosoma mansoni hypothetical protein Get druggable targets OG5_138500 All targets in OG5_138500
Echinococcus multilocularis Zinc finger, DBF type Get druggable targets OG5_138500 All targets in OG5_138500
Schistosoma japonicum expressed protein Get druggable targets OG5_138500 All targets in OG5_138500
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 multilocularis GPCR, family 2 0.0016 0.0052 0.0052
Brugia malayi Metabotropic glutamate receptor precursor. 0.0087 0.0472 0.103
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0107 0.0591 0.0591
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0099 0.0542 0.1701
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.068 0.1491
Onchocerca volvulus Poor gastrulation protein homolog 0.0014 0.004 0.2797
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0164
Loa Loa (eye worm) CYP4Cod1 0.0775 0.4534 1
Schistosoma mansoni protein kinase 0.0008 0.0005 0.0016
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0011
Brugia malayi MH1 domain containing protein 0.0008 0.0006 0.0002
Echinococcus granulosus Zinc finger DBF type 0.0121 0.0672 0.2758
Echinococcus multilocularis tyrosine kinase 0.0008 0.0005 0.0005
Leishmania major cytochrome p450-like protein 0.0775 0.4534 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0223 0.1274 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0079 0.0423 0.0923
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0223 0.1274 0.5
Schistosoma mansoni cytochrome P450 0.0223 0.1274 0.3997
Echinococcus granulosus glutamate receptor 2 0.0008 0.0005 0.0021
Schistosoma mansoni hypothetical protein 0.0223 0.1274 0.3997
Loa Loa (eye worm) glutamate receptor 0.0087 0.0472 0.103
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0223 0.1274 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0073 0.0388 0.1218
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0223 0.1274 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0223 0.1274 0.2801
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0008 0.0005 0.0021
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0008 0.0005 0.0005
Brugia malayi Cytochrome P450 family protein 0.0223 0.1274 0.2801
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0223 0.1274 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0175 1
Echinococcus multilocularis tar DNA binding protein 0.0068 0.0357 0.0357
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0006 0.0002
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0164
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0022 0.0089 0.0184
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0006 0.0025
Brugia malayi cytochrome P450 0.0223 0.1274 0.2801
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0357 0.0778
Loa Loa (eye worm) glutamate receptor 0.0034 0.0159 0.034
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0052 0.0052
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0223 0.1274 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0073 0.0388 0.1593
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.0357 0.0778
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0052 0.0052
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0006 0.0006
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0014 0.004 0.0078
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0014 0.004 0.2797
Loa Loa (eye worm) hypothetical protein 0.0016 0.0052 0.0104
Schistosoma mansoni hypothetical protein 0.0035 0.0163 0.0512
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0775 0.4534 1
Echinococcus granulosus glutamate receptor 2 0.0008 0.0005 0.0021
Echinococcus multilocularis dnaJ subfamily B 0.042 0.2436 0.2436
Trypanosoma cruzi cytochrome P450, putative 0.0775 0.4534 1
Trypanosoma brucei cytochrome P450, putative 0.0775 0.4534 1
Brugia malayi Cytochrome P450 family protein 0.0775 0.4534 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0107 0.0591 0.2424
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0006 0.0002
Schistosoma mansoni glutamate receptor NMDA 0.0008 0.0005 0.0016
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0052 0.0104
Echinococcus multilocularis nmda type glutamate receptor 0.0008 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.0662 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0008 0.0005 0.0021
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0223 0.1274 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0259 0.056
Brugia malayi Cytochrome P450 family protein 0.0775 0.4534 1
Brugia malayi Cytochrome P450 family protein 0.0223 0.1274 0.2801
Schistosoma mansoni metabotropic glutamate receptor 0.0042 0.0208 0.0652
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0223 0.1274 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0223 0.1274 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0223 0.1274 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0775 0.4534 1
Leishmania major cytochrome p450-like protein 0.0223 0.1274 0.2801
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0259 0.056
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0163 0.0349
Loa Loa (eye worm) hypothetical protein 0.0107 0.0591 0.1293
Echinococcus granulosus GPCR family 3 C terminal 0.0014 0.004 0.0165
Mycobacterium leprae putative cytochrome p450 0.0223 0.1274 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0775 0.4534 1
Brugia malayi MH1 domain containing protein 0.0008 0.0006 0.0002
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0223 0.1274 0.5
Brugia malayi metabotropic glutamate receptor type 2 0.0042 0.0208 0.0447
Brugia malayi Smad1 0.0008 0.0006 0.0002
Echinococcus multilocularis 0.0223 0.1274 0.1274
Loa Loa (eye worm) RNA binding protein 0.0068 0.0357 0.0778
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0223 0.1274 0.5
Echinococcus multilocularis GPCR, family 3, C terminal 0.0014 0.004 0.004
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0052 0.0104
Echinococcus granulosus tyrosine kinase 0.0008 0.0005 0.0021
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0164
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0008 0.0005 0.0021
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0223 0.1274 0.2801
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0008 0.0005 0.0005
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0008 0.0005 0.0005
Echinococcus granulosus cytochrome P450 2K1 0.0223 0.1274 0.5228
Entamoeba histolytica hypothetical protein 0.0037 0.0175 1
Schistosoma mansoni hypothetical protein 0.0547 0.3187 1
Echinococcus granulosus GPCR family 2 0.0016 0.0052 0.0215
Echinococcus multilocularis Smad4 0.0008 0.0006 0.0006
Loa Loa (eye worm) Smad1 0.0008 0.0006 0.0002
Schistosoma mansoni hypothetical protein 0.0037 0.0175 0.0549
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0223 0.1274 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0022 0.0089 0.0184
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0326 0.1023
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0019
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0052 0.0215
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0019
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0223 0.1274 0.5
Schistosoma mansoni cpg binding protein 0.0029 0.0131 0.0411
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0223 0.1274 0.2801
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0259 0.056
Echinococcus multilocularis receptor type guanylyl cyclase 0.0008 0.0005 0.0005
Brugia malayi MH2 domain containing protein 0.0008 0.0006 0.0002
Mycobacterium leprae Conserved hypothetical protein 0.0223 0.1274 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0357 0.1121
Loa Loa (eye worm) hypothetical protein 0.0022 0.0089 0.0184
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0006 0.0025
Loa Loa (eye worm) hypothetical protein 0.0552 0.3217 0.7092
Schistosoma mansoni hypothetical protein 0.0014 0.004 0.0126
Schistosoma mansoni cpg binding protein 0.0031 0.0141 0.0442
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0052 0.0104
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0357 0.1121
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0008 0.0005 0.0021
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0008 0.0005 0.0005
Echinococcus multilocularis glutamate receptor 2 0.0008 0.0005 0.0005
Brugia malayi MH2 domain containing protein 0.0123 0.068 0.1491
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0131 0.0278
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0006 0.0006
Schistosoma mansoni Smad4 0.0008 0.0006 0.0019
Echinococcus multilocularis glutamate receptor 2 0.0008 0.0005 0.0005
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0357 0.1121
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0259 0.056
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0175 0.0549
Echinococcus multilocularis Zinc finger, DBF type 0.0549 0.3197 0.3197
Trichomonas vaginalis conserved hypothetical protein 0.0119 0.0662 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0223 0.1274 0.5
Brugia malayi CXXC zinc finger family protein 0.0029 0.0131 0.0278
Schistosoma mansoni hypothetical protein 0.042 0.2436 0.7644
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0175 0.0175
Toxoplasma gondii cytochrome p450 superfamily protein 0.0223 0.1274 1
Schistosoma mansoni hypothetical protein 0.0016 0.0052 0.0164
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0175 0.0718
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0022 0.0089 0.0184
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0223 0.1274 0.5
Echinococcus granulosus dnaJ subfamily B 0.042 0.2436 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.004 0.0078
Onchocerca volvulus 0.0029 0.0131 1
Brugia malayi MH2 domain containing protein 0.0008 0.0006 0.0002
Loa Loa (eye worm) cytochrome P450 family protein 0.0223 0.1274 0.2801
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.068 0.1491
Schistosoma mansoni tyrosine kinase 0.0008 0.0005 0.0016
Schistosoma mansoni tyrosine kinase 0.0008 0.0005 0.0016
Brugia malayi RNA binding protein 0.0068 0.0357 0.0778
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0073 0.0388 0.0388
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.001 0.0011
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0052 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0357 0.1121
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0011 0.0012
Echinococcus granulosus atrial natriuretic peptide receptor 0.0008 0.0005 0.0021
Echinococcus multilocularis cpg binding protein 0.0031 0.0141 0.0141
Entamoeba histolytica hypothetical protein 0.0037 0.0175 1
Echinococcus granulosus Smad4 0.0008 0.0006 0.0025
Echinococcus granulosus smad 0.0008 0.0006 0.0025
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0223 0.1274 0.5
Brugia malayi TAR-binding protein 0.0068 0.0357 0.0778
Schistosoma mansoni cpg binding protein 0.0031 0.0141 0.0442
Brugia malayi hypothetical protein 0.0037 0.0175 0.0375
Echinococcus granulosus receptor type guanylyl cyclase 0.0008 0.0005 0.0021
Echinococcus granulosus nmda type glutamate receptor 0.0008 0.0005 0.0021
Echinococcus granulosus tar DNA binding protein 0.0068 0.0357 0.1467
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0223 0.1274 0.5
Schistosoma mansoni smad 0.0008 0.0006 0.0019
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0223 0.1274 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0006 0.0019
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0357 0.0778
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0044
Echinococcus granulosus cpg binding protein 0.0031 0.0141 0.0578
Leishmania major cytochrome p450-like protein 0.0223 0.1274 0.2801
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0357 0.1121
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0223 0.1274 0.5
Loa Loa (eye worm) cytochrome P450 0.0223 0.1274 0.2801
Entamoeba histolytica hypothetical protein 0.0037 0.0175 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0163 0.0349
Trypanosoma cruzi cytochrome P450, putative 0.0775 0.4534 1
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0008 0.0005 0.0005
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0223 0.1274 0.2801
Echinococcus multilocularis smad 0.0008 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.041 uM Inhibition of CDC7/DBF4 using MCM-2 as substrate after 1 hr ChEMBL. 24900258

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.