Detailed information for compound 141322

Basic information

Technical information
  • TDR Targets ID: 141322
  • Name: 7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-ben zodiazepin-2-one
  • MW: 326.264 | Formula: C15H10N4O5
  • H donors: 1 H acceptors: 5 LogP: 2.07 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C15H10N4O5/c20-14-8-16-15(10-3-1-2-4-13(10)19(23)24)11-7-9(18(21)22)5-6-12(11)17-14/h1-7H,8H2,(H,17,20)
  • InChiKey: OJELCBFEIURAEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni glutaminase 0.0278 0.4354 0.4561
Onchocerca volvulus 0.003 0.0034 0.005
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.003 0.0034 0.0008
Onchocerca volvulus 0.0031 0.0053 0.0169
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0034 0.0008
Loa Loa (eye worm) glutaminase 2 0.0278 0.4354 0.4561
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.003 0.0034 0.0008
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.003 0.0034 0.0008
Echinococcus multilocularis NAD(P) binding domain 0.0575 0.9515 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.003 0.0034 0.0008
Echinococcus granulosus chromobox protein 1 0.0071 0.0745 0.0757
Brugia malayi jmjC domain containing protein 0.0097 0.1202 0.1239
Schistosoma mansoni nAChR subunit 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Loa Loa (eye worm) microfilarial chitinase 0.0072 0.0765 0.0778
Onchocerca volvulus Putative nachr subunit 0.003 0.0034 0.005
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0202 0.0464
Schistosoma mansoni nAChR subunit 0.003 0.0034 0.0008
Leishmania major quinonoid dihydropteridine reductase 0.0602 1 1
Echinococcus multilocularis chromobox protein 1 0.0071 0.0745 0.0757
Brugia malayi Cation transporter family protein 0.003 0.0034 0.0008
Onchocerca volvulus 0.003 0.0034 0.005
Schistosoma mansoni poly(ADP-ribose) glycohydrolase 0.0153 0.2174 0.2263
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0034 0.0008
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0034 0.0008
Onchocerca volvulus Putative endochitinase 0.0074 0.0799 0.5049
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Schistosoma mansoni hypothetical protein 0.0035 0.0114 0.0092
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0745 0.171
Loa Loa (eye worm) hypothetical protein 0.0051 0.0393 0.0387
Schistosoma mansoni chromobox protein 0.0071 0.0745 0.0757
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Loa Loa (eye worm) chitinase I 0.0074 0.0799 0.0814
Loa Loa (eye worm) glutaminase 0.0278 0.4354 0.4561
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.003 0.0034 0.0008
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0114 0.0092
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0034 0.0008
Leishmania major quinonoid dihydropteridine reductase 0.0602 1 1
Onchocerca volvulus Putative endochitinase 0.0083 0.0955 0.6065
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0745 0.171
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0034 0.0008
Onchocerca volvulus 0.003 0.0034 0.005
Onchocerca volvulus Putative endochitinase 0.0083 0.0955 0.6065
Schistosoma mansoni hypothetical protein 0.0118 0.1557 0.1613
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0034 0.0008
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0034 0.0008
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.003 0.0034 0.0008
Onchocerca volvulus 0.0118 0.1557 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0255 0.0585
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0034 0.0008
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0854 0.0872
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.1202 0.1239
Echinococcus granulosus polyADP ribose glycohydrolase 0.0153 0.2174 0.2263
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Leishmania major quinonoid dihydropteridine reductase 0.0602 1 1
Loa Loa (eye worm) hypothetical protein 0.04 0.6483 0.6805
Onchocerca volvulus 0.0118 0.1557 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.003 0.0034 0.0008
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0118 0.1557 0.1613
Echinococcus multilocularis chromobox protein 1 0.0071 0.0745 0.0757
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.1202 0.1239
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0034 0.0008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0393 0.0387
Brugia malayi chromobox protein homolog 3 0.004 0.0202 0.0185
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0577 0.058
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0393 0.0387
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0034 0.0008
Loa Loa (eye worm) ACC-1 protein 0.003 0.0034 0.0008
Brugia malayi dihydropteridine reductase-like 0.0575 0.9515 1
Schistosoma mansoni chromobox protein 0.0071 0.0745 0.0757
Entamoeba histolytica chitinase, putative 0.0074 0.0799 0.0695
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0118 0.1557 0.1613
Onchocerca volvulus 0.003 0.0034 0.005
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0034 0.0008
Trypanosoma brucei poly(ADP-ribose) glycohydrolase, putative 0.0153 0.2174 0.5
Brugia malayi jmjC domain containing protein 0.0036 0.0135 0.0115
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0135 0.0115
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0255 0.0585
Loa Loa (eye worm) hypothetical protein 0.0118 0.1557 0.1613
Brugia malayi endochitinase 0.0074 0.0799 0.0814
Loa Loa (eye worm) hypothetical protein 0.0035 0.0114 0.0092
Schistosoma mansoni nAChR subunit 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Leishmania major quinonoid dihydropteridine reductase 0.0602 1 1
Schistosoma mansoni nAChR subunit 0.003 0.0034 0.0008
Leishmania major quinonoid dihydropteridine reductase 0.0602 1 1
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.0068 0.0697 0.0706
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0135 0.0115
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0255 0.149
Loa Loa (eye worm) dihydropteridine reductase-PC 0.0575 0.9515 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative 0.0153 0.2174 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.003 0.0034 0.0008
Brugia malayi Cation transporter family protein 0.003 0.0034 0.0008
Schistosoma mansoni nAChR subunit 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Brugia malayi glutaminase DH11.1 0.0278 0.4354 0.4561
Plasmodium falciparum conserved protein, unknown function 0.0118 0.1557 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0034 0.0008
Brugia malayi Poly 0.0153 0.2174 0.2263
Onchocerca volvulus 0.003 0.0034 0.005
Onchocerca volvulus 0.003 0.0034 0.005
Loa Loa (eye worm) hypothetical protein 0.004 0.0202 0.0185
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0745 0.0757
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0135 0.0115
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.003 0.0034 0.0008
Loa Loa (eye worm) cuticular endochitinase 0.0074 0.0799 0.0814
Brugia malayi Cation transporter family protein 0.003 0.0034 0.0008
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.0212 0.3207 0.3352
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.003 0.0034 0.0008
Mycobacterium tuberculosis Possible chitinase 0.0063 0.0609 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.0063 0.0609 0.0614
Giardia lamblia PHD finger protein 15 0.003 0.0027 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0602 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0396 0.0389
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0202 0.1147
Echinococcus multilocularis nAChR subunit 0.003 0.0034 0.0008
Brugia malayi Endochitinase 0.0083 0.0955 0.0978
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0229 0.0213
Loa Loa (eye worm) hypothetical protein 0.0226 0.3448 0.3606
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.003 0.0034 0.0008
Echinococcus granulosus glycine receptor subunit alpha 1 0.003 0.0034 0.0008
Leishmania major quinonoid dihydropteridine reductase 0.0602 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0135 0.0115
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.003 0.0034 0.0008
Brugia malayi endochitinase 0.0083 0.0955 0.0978
Onchocerca volvulus Putative endochitinase 0.0074 0.0799 0.5049
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.003 0.0034 0.0008
Onchocerca volvulus Putative endochitinase 0.0083 0.0955 0.6065
Echinococcus multilocularis glycine receptor subunit beta 0.003 0.0034 0.0008
Echinococcus multilocularis glycine receptor subunit alpha 1 0.003 0.0034 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0202 0.0464
Echinococcus granulosus nAChR subunit 0.003 0.0034 0.0008
Mycobacterium ulcerans glutaminase 0.0278 0.4354 1
Entamoeba histolytica hypothetical protein 0.0153 0.2174 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.003 0.0034 0.0008
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.003 0.0034 0.0008
Schistosoma mansoni nAChR subunit 0.003 0.0034 0.0008
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.003 0.0034 0.0008
Echinococcus granulosus chromobox protein 1 0.0071 0.0745 0.0757
Trichomonas vaginalis glutaminase, putative 0.0278 0.4354 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0135 0.0115
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0393 0.0387
Toxoplasma gondii 6,7-dihydropteridine reductase 0.0575 0.9515 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Loa Loa (eye worm) LGC-31 protein 0.003 0.0034 0.0008
Schistosoma mansoni nAChR subunit 0.003 0.0034 0.0008
Loa Loa (eye worm) ACC-1 protein 0.003 0.0034 0.0008
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.003 0.0034 0.0008
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.003 0.0034 0.0008
Loa Loa (eye worm) Poly(ADP-ribose) glycohydrolase 0.0153 0.2174 0.2263
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.003 0.0034 0.0008
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0034 0.0008
Echinococcus granulosus glycine receptor subunit beta 0.003 0.0034 0.0008
Echinococcus multilocularis poly(ADP ribose) glycohydrolase 0.0153 0.2174 0.2263
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0229 0.0213
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Loa Loa (eye worm) hypothetical protein 0.0118 0.1557 0.1613
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.003 0.0034 0.0008
Schistosoma mansoni dihydropteridine reductase 0.0575 0.9515 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0053 0.0027
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.003 0.0034 0.0008
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0118 0.1557 0.1613
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.0153 0.2174 0.2263
Brugia malayi excitatory GABA receptor EXP-1A 0.003 0.0034 0.0008
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.003 0.0034 0.0008
Brugia malayi Heterochromatin protein 1 0.0071 0.0745 0.0757
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.003 0.0034 0.0008
Toxoplasma gondii hypothetical protein 0.0118 0.1557 0.1613
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.003 0.0034 0.0008
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0226 0.3448 0.3606
Loa Loa (eye worm) hypothetical protein 0.003 0.0034 0.0008
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.003 0.0034 0.0008
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.003 0.0034 0.0008
Plasmodium vivax hypothetical protein, conserved 0.0118 0.1557 1
Echinococcus granulosus NADP binding domain 0.0575 0.9515 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.003 0.0034 0.0008

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Muscle relaxant activity in mouse ChEMBL. 926122
Activity (functional) Sedative activity in mouse ChEMBL. 926122
Anti-fighting behaviour (functional) = 3.91 Compound was evaluated for the Anti-fighting behavior. ChEMBL. 2202830
Anti-pent effect (functional) = 5.97 Evaluation for the Anti-pentylenetetrazole effect. ChEMBL. 2202830
log(1/ED50) (functional) = 2.9691 Anticonvulsion activity in mouse assessed as protection against pentylenetetrazole-induced convulsion ChEMBL. 926122
log(1/MED) (functional) = 0.9112 Taming activity in mouse assessed as suppression of electrical current-induced aggressive behavior by foot-shock test ChEMBL. 926122

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.

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