Detailed information for compound 630820

Basic information

Technical information
  • TDR Targets ID: 630820
  • Name: (E)-3-(3-bromo-4-dimethylaminophenyl)-2-(4-ni trophenyl)prop-2-enenitrile
  • MW: 372.216 | Formula: C17H14BrN3O2
  • H donors: 0 H acceptors: 3 LogP: 4.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C/c1ccc(c(c1)Br)N(C)C)/c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C17H14BrN3O2/c1-20(2)17-8-3-12(10-16(17)18)9-14(11-19)13-4-6-15(7-5-13)21(22)23/h3-10H,1-2H3/b14-9-
  • InChiKey: QMBPFANUKOGVLQ-ZROIWOOFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(3-bromo-4-dimethylamino-phenyl)-2-(4-nitrophenyl)prop-2-enenitrile
  • (E)-3-(3-bromo-4-dimethylamino-phenyl)-2-(4-nitrophenyl)acrylonitrile
  • ZINC01202912

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 inosine-5'-monophosphate dehydrogenase 0.0177 0.2365 0.4149
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.0326 0.031
Brugia malayi Inositol-1 0.0037 0.0325 0.0571
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0326 0.031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0325 0.0527
Onchocerca volvulus 0.0017 0.0026 0.0111
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0326 0.031
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0723 0.1228
Brugia malayi hypothetical protein 0.0016 0.0017 0.0029
Mycobacterium ulcerans hypothetical protein 0.0163 0.2163 0.3419
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0223 0.3047 0.5115
Loa Loa (eye worm) hypothetical protein 0.0037 0.0326 0.0572
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0026 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0456 0.0456
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0326 0.0528
Schistosoma mansoni hypothetical protein 0.0171 0.2288 0.2288
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Mycobacterium tuberculosis Conserved hypothetical protein 0.0163 0.2163 0.3488
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.04 0.5634 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0404 0.5701 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0152 0.0221
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.1669 0.2927
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0026 0.001
Echinococcus multilocularis microtubule associated protein 2 0.0697 1 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1669 0.1669
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.04 0.5634 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0046
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0146 0.1921 0.3188
Echinococcus multilocularis cysteine protease 0.0017 0.0026 0.001
Trypanosoma cruzi GMP reductase 0.0404 0.5701 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Leishmania major cathepsin L-like protease 0.0064 0.0723 0.1228
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.1669 0.2927
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0325 0.0527
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0026 0.001
Loa Loa (eye worm) cysteine protease 0.0017 0.0026 0.0046
Brugia malayi hypothetical protein 0.0025 0.0152 0.0266
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0326 0.0314
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0318 0.0318
Toxoplasma gondii IMP dehydrogenas 0.0404 0.5701 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0046
Schistosoma mansoni inositol monophosphatase 0.0037 0.0325 0.0325
Brugia malayi hypothetical protein 0.0037 0.0318 0.0557
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0029
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0415 0.0685
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1669 0.1669
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0026 0.001
Onchocerca volvulus 0.0017 0.0026 0.0111
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0309 0.4306 0.7542
Onchocerca volvulus 0.0016 0.0017 0.0071
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0404 0.5701 0.5694
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0026 0.0026
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.0326 0.0326
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0309 0.4306 0.7486
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0404 0.5701 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0554 0.093
Brugia malayi RNA binding protein 0.0129 0.1669 0.2927
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0325 0.0309
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0456 0.08
Onchocerca volvulus 0.0017 0.0026 0.0111
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0404 0.5701 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0404 0.5701 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.04 0.5634 0.9875
Brugia malayi GMP reductase 0.0177 0.2365 0.4149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0456 0.0456
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.1921 0.3339
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1669 0.1669
Echinococcus multilocularis cysteine protease 0.0017 0.0026 0.001
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0046
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0181 0.2432 0.3984
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0456 0.0456
Loa Loa (eye worm) TK/ALK protein kinase 0.0016 0.0017 0.0029
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.0326 1
Leishmania major cathepsin L-like protease 0.0064 0.0723 0.1228
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0146 0.1921 0.3339
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0404 0.5701 0.5701
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0177 0.2365 0.4149
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0456 0.044
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0404 0.5701 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0026 0.0026
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0318 0.0301
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0325 0.0527
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0325 0.9978
Leishmania major inosine-5-monophosphate dehydrogenase 0.0404 0.5701 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.0326 0.0326
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0026 0.0111
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0404 0.5701 1
Schistosoma mansoni microtubule-associated protein tau 0.0697 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0046
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0404 0.5701 0.5694
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Leishmania major cathepsin L-like protease 0.0064 0.0723 0.1228
Loa Loa (eye worm) fibroinase 0.0017 0.0026 0.0046
Toxoplasma gondii hypothetical protein 0.005 0.0509 0.085
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0456 0.044
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0415 0.0685
Leishmania major guanosine monophosphate reductase 0.0404 0.5701 1
Entamoeba histolytica hypothetical protein 0.0037 0.0318 0.9719
Trypanosoma cruzi GMP reductase 0.0404 0.5701 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0309 0.4306 0.7542
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.0326 0.031
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.0326 0.0528
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0181 0.2432 0.392
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0326 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0026 0.0046
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0029
Onchocerca volvulus 0.0017 0.0026 0.0111
Loa Loa (eye worm) TAR-binding protein 0.0129 0.1669 0.2927
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0723 0.1228
Brugia malayi Protein kinase domain containing protein 0.0016 0.0017 0.0029
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0325 0.9978
Leishmania major hypothetical protein, conserved 0.0025 0.0152 0.0221
Schistosoma mansoni hypothetical protein 0.0016 0.0017 0.0017
Loa Loa (eye worm) RNA binding protein 0.0129 0.1669 0.2927
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0456 0.044
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0641 0.1084
Echinococcus granulosus cathepsin l1 0.0017 0.0026 0.001
Leishmania major mitochondrial DNA polymerase beta 0.0309 0.4306 0.7542
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0026 0.0111
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0026 0.001
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0326 0.0572
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0325 0.9978
Echinococcus multilocularis geminin 0.0171 0.2288 0.2275
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0152 0.0224
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0318 0.0301
Trypanosoma brucei GMP reductase 0.0404 0.5701 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.0326 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.0326 0.0528
Onchocerca volvulus 0.0017 0.0026 0.0111
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0326 0.5
Brugia malayi hypothetical protein 0.0016 0.0019 0.0034
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0026 0.0046
Entamoeba histolytica hypothetical protein 0.0037 0.0318 0.9719
Schistosoma mansoni hypothetical protein 0.0171 0.2288 0.2288
Schistosoma mansoni hypothetical protein 0.0016 0.0017 0.0017
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0404 0.5701 1
Schistosoma mansoni hypothetical protein 0.0037 0.0318 0.0318
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0046
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.0326 0.031
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0456 0.044
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1669 0.1669
Echinococcus multilocularis tar DNA binding protein 0.0129 0.1669 0.1655
Onchocerca volvulus 0.0017 0.0026 0.0111
Loa Loa (eye worm) GMP reductase 0.0177 0.2365 0.4149
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0456 0.08
Loa Loa (eye worm) hypothetical protein 0.0025 0.0152 0.0266
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0325 0.9978
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0026 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1669 0.1669
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0152 0.0224
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0404 0.5701 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0325 0.0309
Entamoeba histolytica hypothetical protein 0.0037 0.0318 0.9719
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0404 0.5701 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0521 0.0872
Loa Loa (eye worm) inositol-1 0.0037 0.0325 0.0571
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0415 0.0474
Loa Loa (eye worm) ctsf protein 0.0017 0.0026 0.0046
Onchocerca volvulus 0.0017 0.0026 0.0111
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0152 0.0221
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0723 0.1228
Onchocerca volvulus 0.0016 0.0017 0.0071
Echinococcus granulosus geminin 0.0171 0.2288 0.2275
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0326 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0152 0.0224
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0723 0.103
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0325 0.0527
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.0326 0.031
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0026 0.0111
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0026 0.001
Onchocerca volvulus Putative GMP reductase 0.0177 0.2365 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0415 0.0685
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0325 0.0313
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0223 0.3047 0.5115
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0046
Brugia malayi TAR-binding protein 0.0129 0.1669 0.2927
Entamoeba histolytica hypothetical protein 0.0037 0.0318 0.9719
Schistosoma mansoni inositol monophosphatase 0.0037 0.0325 0.0325
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0404 0.5701 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0026 0.0046
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0723 0.1228
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0152 0.0221
Echinococcus granulosus tar DNA binding protein 0.0129 0.1669 0.1655

Activities

No activities found for this compound.

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.

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