Detailed information for compound 1721625

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 192.214 | Formula: C10H12N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.59 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cccc2c1[nH]c(=O)n2O
  • InChi: 1S/C10H12N2O2/c1-2-4-7-5-3-6-8-9(7)11-10(13)12(8)14/h3,5-6,14H,2,4H2,1H3,(H,11,13)
  • InChiKey: YDGNEUAJYIQHDZ-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
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.1253 0.417
Echinococcus multilocularis ferritin 0.0027 0.0017 0.0034
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.0403 0.0822
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.1253 1
Brugia malayi TAR-binding protein 0.0062 0.0523 0.1685
Loa Loa (eye worm) hypothetical protein 0.0054 0.0408 0.1093
Loa Loa (eye worm) hypothetical protein 0.0113 0.1253 0.417
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0523 0.1513
Trypanosoma cruzi ISWI complex protein 0.0048 0.0328 0.2614
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0408 0.0833
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0335 0.0685
Loa Loa (eye worm) PHD-finger family protein 0.0065 0.0571 0.1687
Schistosoma mansoni ferritin 0.0027 0.0017 0.0034
Brugia malayi Bromodomain containing protein 0.0241 0.3105 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0239 1
Mycobacterium tuberculosis Probable lipase LipD 0.0113 0.1253 0.1239
Plasmodium vivax hypothetical protein, conserved 0.0113 0.1253 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0433 0.1394
Brugia malayi beta-lactamase family protein 0.0113 0.1253 0.4035
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0408 0.0833
Treponema pallidum bacterioferrin (TpF1) 0.0027 0.0017 0.5
Mycobacterium ulcerans hypothetical protein 0.0113 0.1253 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.1253 0.256
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1253 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0523 0.1513
Loa Loa (eye worm) hypothetical protein 0.0113 0.1253 0.417
Loa Loa (eye worm) hypothetical protein 0.0224 0.2855 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0335 0.0685
Schistosoma mansoni ferritin light chain 0.0027 0.0017 0.0034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1253 0.256
Schistosoma mansoni hypothetical protein 0.0033 0.0107 0.0219
Echinococcus granulosus methyl CpG binding domain protein 2 0.0054 0.0408 0.0833
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0165 0.1998 0.4081
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0433 0.0884
Loa Loa (eye worm) hypothetical protein 0.0133 0.1543 0.5225
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.1253 0.4035
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0662 0.213
Schistosoma mansoni zinc finger protein 0.0048 0.0328 0.0669
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0071 0.0658 0.1344
Loa Loa (eye worm) beta-lactamase 0.0113 0.1253 0.417
Mycobacterium ulcerans beta-lactamase 0.0113 0.1253 1
Brugia malayi beta-lactamase family protein 0.0113 0.1253 0.4035
Schistosoma mansoni ferritin 0.0027 0.0017 0.0034
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1253 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0193 0.2408 0.4918
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0107 0.0219
Echinococcus granulosus tar DNA binding protein 0.0062 0.0523 0.1069
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0335 0.0685
Echinococcus multilocularis expressed protein 0.0027 0.0017 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1253 1
Toxoplasma gondii ABC1 family protein 0.0113 0.1253 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0107 0.0219
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1139 0.3755
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1253 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0114 0.1268 0.2591
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0335 0.0685
Loa Loa (eye worm) hypothetical protein 0.0105 0.1139 0.3755
Mycobacterium tuberculosis Probable esterase LipL 0.0113 0.1253 0.1239
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1139 0.3668
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1139 0.3668
Schistosoma mansoni ferritin 0.0027 0.0017 0.0034
Echinococcus granulosus geminin 0.0366 0.4896 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0107 0.0219
Schistosoma mansoni ferritin 0.0027 0.0017 0.0034
Schistosoma mansoni bromodomain containing protein 0.0204 0.2571 0.5251
Loa Loa (eye worm) acetyltransferase 0.0165 0.1998 0.6881
Schistosoma mansoni hypothetical protein 0.0033 0.0107 0.0219
Schistosoma mansoni methyl-cpg binding protein mbd 0.0054 0.0408 0.0833
Trichomonas vaginalis esterase, putative 0.0113 0.1253 1
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0239 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.1253 1
Loa Loa (eye worm) bromodomain containing protein 0.006 0.0491 0.1396
Brugia malayi beta-lactamase 0.0113 0.1253 0.4035
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0113 0.1253 0.1239
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0523 0.1069
Brugia malayi mbt repeat family protein 0.0049 0.0335 0.108
Loa Loa (eye worm) hypothetical protein 0.0113 0.1253 0.417
Echinococcus granulosus zinc finger protein 0.0066 0.0578 0.1181
Loa Loa (eye worm) hypothetical protein 0.0113 0.1253 0.417
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.0403 0.3212
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0335 0.0829
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1253 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0433 0.0884
Echinococcus granulosus fetal alzheimer antigen falz 0.0071 0.0658 0.1344
Leishmania major hypothetical protein, conserved 0.0113 0.1253 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0107 0.0346
Brugia malayi RNA binding protein 0.0062 0.0523 0.1685
Brugia malayi mbt repeat family protein 0.0049 0.0335 0.108
Mycobacterium leprae conserved hypothetical protein 0.0113 0.1253 1
Schistosoma mansoni hypothetical protein 0.0033 0.0107 0.0219
Loa Loa (eye worm) hypothetical protein 0.0056 0.0433 0.1185
Brugia malayi Bromodomain containing protein 0.0125 0.1432 0.4611
Loa Loa (eye worm) RNA binding protein 0.0062 0.0523 0.1513
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1253 1
Brugia malayi acetyltransferase, GNAT family protein 0.0165 0.1998 0.6434
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.241 0.4922
Loa Loa (eye worm) hypothetical protein 0.0049 0.0335 0.0829
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1253 1
Trichomonas vaginalis ferritin, putative 0.0027 0.0017 0.0132
Schistosoma mansoni hypothetical protein 0.0065 0.0571 0.1166
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0335 0.0685
Schistosoma mansoni hypothetical protein 0.0048 0.0328 0.0669
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.0403 0.3212
Echinococcus multilocularis geminin 0.0366 0.4896 1
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.1253 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0523 0.1069
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0523 0.1069
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0408 0.0833
Schistosoma mansoni hypothetical protein 0.0366 0.4896 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.138 0.463
Trypanosoma brucei ISWI complex protein 0.0048 0.0328 0.2614
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0239 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0433 0.0884
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0523 0.1069
Schistosoma mansoni ferritin light chain 0.0027 0.0017 0.0034
Mycobacterium leprae Probable lipase LipE 0.0113 0.1253 1
Schistosoma mansoni hypothetical protein 0.0366 0.4896 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0433 0.0884
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0523 0.1685
Echinococcus multilocularis zinc finger protein 0.0066 0.0578 0.1181
Schistosoma mansoni hypothetical protein 0.0033 0.0107 0.0219
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0114 0.1268 0.2591
Echinococcus multilocularis GPCR, family 2 0.0033 0.0107 0.0219
Mycobacterium ulcerans lipase LipD 0.0113 0.1253 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0193 0.2408 0.4918
Loa Loa (eye worm) MBCTL1 0.0056 0.0433 0.1185
Mycobacterium tuberculosis Probable hydrolase 0.0113 0.1253 0.1239
Echinococcus granulosus beta LACTamase domain containing family member 0.0113 0.1253 0.256
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0107 0.0346
Mycobacterium tuberculosis Conserved protein 0.0113 0.1253 0.1239
Echinococcus granulosus ferritin 0.0027 0.0017 0.0034
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.241 0.4922
Echinococcus granulosus histone acetyltransferase KAT2B 0.0153 0.1827 0.3731
Onchocerca volvulus 0.0113 0.1253 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0523 0.1069
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0113 0.1253 0.1239
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0408 0.0833
Onchocerca volvulus 0.0113 0.1253 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0335 0.0685
Schistosoma mansoni apoferritin-2 0.0027 0.0017 0.0034
Mycobacterium tuberculosis Probable lipase LipE 0.0113 0.1253 0.1239
Loa Loa (eye worm) hypothetical protein 0.0113 0.1253 0.417
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0433 0.0884
Schistosoma mansoni hypothetical protein 0.0072 0.0662 0.1351
Schistosoma mansoni methyl-cpg binding protein mbd 0.0054 0.0408 0.0833
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0071 0.0658 0.1344
Echinococcus granulosus GPCR family 2 0.0033 0.0107 0.0219
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0335 0.0685
Brugia malayi PHD-finger family protein 0.0083 0.0821 0.2645
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0113 0.1253 0.1239
Schistosoma mansoni apoferritin-2 0.0027 0.0017 0.0034
Loa Loa (eye worm) hypothetical protein 0.0139 0.163 0.5542
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0523 0.1069
Mycobacterium tuberculosis Conserved protein 0.0113 0.1253 0.1239
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0027 0.0017 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0107 0.0219
Trypanosoma cruzi ISWI complex protein 0.0048 0.0328 0.2614
Echinococcus granulosus expressed protein 0.0027 0.0017 0.0034
Loa Loa (eye worm) hypothetical protein 0.0072 0.0662 0.2017
Onchocerca volvulus 0.0113 0.1253 1
Mycobacterium tuberculosis Conserved protein 0.0113 0.1253 0.1239
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0165 0.1998 0.4081
Schistosoma mansoni zinc finger protein 0.0066 0.0578 0.1181
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1253 0.256
Loa Loa (eye worm) hypothetical protein 0.0113 0.1253 0.417
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.0403 0.3212
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0054 0.0408 0.0833
Schistosoma mansoni hypothetical protein 0.0298 0.3918 0.8003
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.0403 0.3212

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 20 uM Inhibition of human recombinant DAAO expressed in HEK293 cells using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay ChEMBL. 23243487
IC50 (binding) = 30 uM Inhibition of pig DAAO using D-serine as substrate after 20 mins by horseradish peroxidase-coupled assay ChEMBL. 23243487

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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