Detailed information for compound 781731

Basic information

Technical information
  • TDR Targets ID: 781731
  • Name: 5-(4-bromophenyl)-3-(4-methoxyphenyl)-4-pyrid in-2-yl-1,4-dihydropyrrolo[4,3-d]pyrazol-6-on e
  • MW: 461.311 | Formula: C23H17BrN4O2
  • H donors: 1 H acceptors: 3 LogP: 3.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1[nH]nc2c1C(c1ccccn1)N(C2=O)c1ccc(cc1)Br
  • InChi: 1S/C23H17BrN4O2/c1-30-17-11-5-14(6-12-17)20-19-21(27-26-20)23(29)28(16-9-7-15(24)8-10-16)22(19)18-4-2-3-13-25-18/h2-13,22H,1H3,(H,26,27)
  • InChiKey: UXYAZPWGQPMJER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(2-pyridyl)-1,4-dihydropyrrolo[4,3-d]pyrazol-6-one
  • A3375/0143251

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
Echinococcus multilocularis acetylcholinesterase 0.1042 1 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.008 0.0117
Echinococcus granulosus carboxylesterase 5A 0.1042 1 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.1462 0.1437
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.0666 0.3037
Plasmodium vivax SET domain protein, putative 0.0091 0.0626 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0103 0.0739 0.0711
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.1323 0.1296
Loa Loa (eye worm) carboxylesterase 0.0176 0.1462 0.1437
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0176 0.1462 0.7178
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0626 0.0597
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0176 0.1462 0.2128
Brugia malayi Carboxylesterase family protein 0.0176 0.1462 0.1436
Onchocerca volvulus 0.0036 0.0083 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0113 0.0164
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0054
Onchocerca volvulus 0.0094 0.065 0.0907
Echinococcus granulosus acetylcholinesterase 0.1042 1 1
Leishmania major trypanothione reductase 0.0038 0.0097 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0247 0.0219
Plasmodium falciparum glutathione reductase 0.0038 0.0097 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0176 0.1462 0.1436
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.008 0.0117
Echinococcus granulosus BC026374 protein S09 family 0.0176 0.1462 0.1436
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0095 0.0064
Brugia malayi Heterochromatin protein 1 0.007 0.0416 0.0386
Echinococcus multilocularis neuroligin 0.0176 0.1462 0.1436
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.0724 0.0696
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.008 0.0117
Brugia malayi beta-lactamase family protein 0.0036 0.0083 0.0052
Echinococcus multilocularis chromobox protein 1 0.007 0.0416 0.0386
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.008 0.0117
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0626 0.0597
Echinococcus granulosus jumonji domain containing protein 0.0043 0.015 0.012
Brugia malayi chromobox protein homolog 3 0.0039 0.0113 0.0082
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.1323 0.1297
Onchocerca volvulus Alhambra homolog 0.0031 0.0031 0.0002
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0091 0.0626 0.0597
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0102 0.0071
Loa Loa (eye worm) hypothetical protein 0.0091 0.0626 0.0599
Onchocerca volvulus 0.0103 0.0739 0.1038
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0054
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0176 0.1462 0.1436
Mycobacterium tuberculosis Carboxylesterase LipT 0.0176 0.1462 0.7178
Onchocerca volvulus 0.0036 0.0083 0.0078
Loa Loa (eye worm) hypothetical protein 0.0053 0.0249 0.022
Mycobacterium ulcerans carboxylesterase, LipT 0.0176 0.1462 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0142 0.0207
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.1323 0.1296
Echinococcus granulosus histone lysine methyltransferase setb 0.0091 0.0626 0.0597
Schistosoma mansoni acetylcholinesterase 0.0176 0.1462 0.1436
Brugia malayi Carboxylesterase family protein 0.0176 0.1462 0.1436
Loa Loa (eye worm) acetylcholinesterase 1 0.1042 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0031 0.0002
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0083 0.0052
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.0666 0.3037
Loa Loa (eye worm) hypothetical protein 0.0176 0.1462 0.1437
Schistosoma mansoni alpha glucosidase 0.0036 0.008 0.005
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0102 0.0071
Trypanosoma brucei trypanothione reductase 0.0038 0.0097 1
Brugia malayi hypothetical protein 0.0176 0.1462 0.1436
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Loa Loa (eye worm) hypothetical protein 0.1042 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0294 0.2621 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0083 0.0052
Brugia malayi jmjC domain containing protein 0.0037 0.0095 0.0064
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.0666 0.5518
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.114 0.5503
Loa Loa (eye worm) hypothetical protein 0.0176 0.1462 0.1437
Onchocerca volvulus 0.0176 0.1462 0.2094
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0113 0.0164
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0083 0.1376
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0054
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0142 0.0207
Leishmania major hypothetical protein, conserved 0.0036 0.0083 0.1376
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0091 0.0626 1
Brugia malayi Pre-SET motif family protein 0.0636 0.6003 0.5991
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0174 0.0144
Plasmodium vivax glutathione reductase, putative 0.0038 0.0097 0.1108
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0054
Loa Loa (eye worm) hypothetical protein 0.0176 0.1462 0.1437
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.008 0.005
Trichomonas vaginalis spcc417.12 protein, putative 0.0176 0.1462 0.2128
Trichomonas vaginalis chromobox protein, putative 0.007 0.0416 0.0606
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0083 0.0052
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0095 0.0066
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.2621 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Schistosoma mansoni BC026374 protein (S09 family) 0.0176 0.1462 0.1436
Onchocerca volvulus 0.0176 0.1462 0.2094
Echinococcus granulosus geminin 0.017 0.1404 0.1378
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0083 0.0054
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0083 0.1376
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1323 0.1296
Echinococcus multilocularis acetylcholinesterase 0.1042 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Schistosoma mansoni alpha-glucosidase 0.0139 0.1101 0.1073
Trichomonas vaginalis chromobox protein, putative 0.007 0.0416 0.0606
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.0572 0.2545
Onchocerca volvulus 0.0724 0.687 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0083 0.0054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0174 0.0144
Brugia malayi glutathione reductase 0.0038 0.0097 0.0066
Echinococcus granulosus chromobox protein 1 0.007 0.0416 0.0386
Loa Loa (eye worm) carboxylesterase 0.0176 0.1462 0.1437
Loa Loa (eye worm) hypothetical protein 0.0036 0.0082 0.0053
Schistosoma mansoni hypothetical protein 0.017 0.1404 0.1378
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.0724 0.0696
Brugia malayi Pre-SET motif family protein 0.0091 0.0626 0.0597
Onchocerca volvulus 0.0036 0.0083 0.0078
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0083 0.0052
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0174 0.0144
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0174 0.0146
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0174 0.0144
Schistosoma mansoni hypothetical protein 0.0036 0.0082 0.0052
Brugia malayi Carboxylesterase family protein 0.0176 0.1462 0.1436
Onchocerca volvulus 0.0176 0.1462 0.2094
Echinococcus multilocularis geminin 0.017 0.1404 0.1378
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.0572 0.2545
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0054
Echinococcus granulosus chromobox protein 1 0.007 0.0416 0.0386
Brugia malayi beta-lactamase family protein 0.0036 0.0083 0.0052
Loa Loa (eye worm) hypothetical protein 0.0039 0.0113 0.0084
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.008 0.0117
Schistosoma mansoni chromobox protein 0.007 0.0416 0.0386
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.0572 0.2545
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0174 0.0144
Brugia malayi Thioredoxin reductase 0.0038 0.0097 0.0066
Loa Loa (eye worm) hypothetical protein 0.0176 0.1462 0.1437
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0083 0.0052
Echinococcus multilocularis para nitrobenzyl esterase 0.0176 0.1462 0.1436
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.2621 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0083 0.012
Echinococcus multilocularis chromobox protein 1 0.007 0.0416 0.0386
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0355 0.0327
Brugia malayi Carboxylesterase family protein 0.1042 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.008 0.0117
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0176 0.1462 0.1436
Echinococcus granulosus para nitrobenzyl esterase 0.0176 0.1462 0.1436
Mycobacterium tuberculosis Probable reductase 0.0086 0.0572 0.2545
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0083 0.1376
Schistosoma mansoni chromobox protein 0.007 0.0416 0.0386
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0174 0.0144
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.015 0.012
Schistosoma mansoni jumonji domain containing protein 0.008 0.0519 0.049
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0097 0.1108
Trichomonas vaginalis set domain proteins, putative 0.0724 0.687 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0083 0.087
Schistosoma mansoni hypothetical protein 0.017 0.1404 0.1378
Brugia malayi jmjC domain containing protein 0.0101 0.0724 0.0696
Loa Loa (eye worm) hypothetical protein 0.1042 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0142 0.0165
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0083 0.012
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.008 0.0117
Echinococcus granulosus neuroligin 0.0176 0.1462 0.1436
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0176 0.1462 0.1436
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.008 0.0117
Plasmodium falciparum thioredoxin reductase 0.0038 0.0097 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Trichomonas vaginalis esterase, putative 0.0036 0.0083 0.012
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.0572 0.2545
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0097 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.008 0.0117
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1323 0.1296
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.2621 0.3815
Echinococcus multilocularis carboxylesterase 5A 0.1042 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0097 0.0068
Loa Loa (eye worm) glutathione reductase 0.0038 0.0097 0.0068
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0083 0.012
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.008 0.0051
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0176 0.1462 0.1436
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0091 0.0626 0.0597
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.0572 0.4625
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.0666 0.3037
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0095 0.0064
Onchocerca volvulus 0.0176 0.1462 0.2094
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0247 0.0217
Echinococcus multilocularis BC026374 protein (S09 family) 0.0176 0.1462 0.1436
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.114 0.7667
Schistosoma mansoni alpha-glucosidase 0.0139 0.1101 0.1073
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.2004 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0174 0.0144
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0247 0.0217
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0113 0.0122
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0416 0.0388
Treponema pallidum fructose-bisphosphate aldolase 0.0294 0.2621 0.5
Schistosoma mansoni gliotactin 0.0176 0.1462 0.1436
Loa Loa (eye worm) carboxylesterase 0.1042 1 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.1462 0.1437
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1042 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0176 0.1462 0.1436
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0097 0.0074
Loa Loa (eye worm) hypothetical protein 0.0036 0.0083 0.0054
Loa Loa (eye worm) hypothetical protein 0.0053 0.0247 0.0219
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0031 0.0002
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.0572 0.2545
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0083 0.012
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.114 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0083 0.012
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0091 0.0626 0.0597
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0088 0.0593 0.0564
Brugia malayi Carboxylesterase family protein 0.0176 0.1462 0.1436
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0082 0.0052
Toxoplasma gondii thioredoxin reductase 0.0038 0.0097 0.1108
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0176 0.1462 0.7178
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.008 0.0832
Onchocerca volvulus 0.0176 0.1462 0.2094
Toxoplasma gondii ABC1 family protein 0.0036 0.0083 0.087
Echinococcus granulosus acetylcholinesterase 0.1042 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0174 0.0144
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.008 0.005
Loa Loa (eye worm) hypothetical protein 0.0176 0.1462 0.1437
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0095 0.0064
Brugia malayi beta-lactamase 0.0036 0.0083 0.0052
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0636 0.6003 0.5991
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.008 0.005
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0095 0.0064

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.

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