Detailed information for compound 1170763

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 194.23 | Formula: C10H14N2O2
  • H donors: 2 H acceptors: 3 LogP: 2.28 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC1Cc2c(C1)[nH]nc2C(=O)O
  • InChi: 1S/C10H14N2O2/c1-2-3-6-4-7-8(5-6)11-12-9(7)10(13)14/h6H,2-5H2,1H3,(H,11,12)(H,13,14)
  • InChiKey: IFQBSTZVKJNGLF-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
Mus musculus hydroxycarboxylic acid receptor 2 Starlite/ChEMBL References
Homo sapiens hydroxycarboxylic acid receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis G-protein coupled receptor, putative hydroxycarboxylic acid receptor 2 363 aa 294 aa 20.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica glycogen phosphorylase, putative 0.005 0.0567 0.1733
Brugia malayi Cam kinase protein 1 0.003 0.0162 0.0495
Echinococcus granulosus importin subunit beta 1 0.0031 0.0167 0.0266
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.038 0.0603
Schistosoma mansoni glycogen phosphorylase 0.0115 0.1925 0.3056
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0066 0.0907 0.2769
Plasmodium falciparum phosphoglycerate kinase 0.0181 0.3274 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.3274 0.5198
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.038 0.0603
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.038 0.0603
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0333 0.6438 0.6223
Trypanosoma brucei phosphoglycerate kinase 0.0181 0.3274 1
Treponema pallidum phosphoglycerate kinase 0.0181 0.3274 0.5
Entamoeba histolytica protein kinase, putative 0.003 0.0162 0.0495
Plasmodium falciparum importin beta, putative 0.0031 0.0167 0.0511
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0181 0.3274 1
Schistosoma mansoni hypothetical protein 0.0041 0.038 0.0603
Trypanosoma brucei phosphoglycerate kinase, putative 0.0066 0.0907 0.2769
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.003 0.0162 0.0496
Schistosoma mansoni glycogen phosphorylase 0.005 0.0567 0.0901
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.003 0.0162 0.0257
Brugia malayi Phosphoglycerate kinase 0.0066 0.0907 0.2769
Mycobacterium tuberculosis Conserved protein 0.0079 0.1172 0.0641
Mycobacterium tuberculosis Conserved protein 0.0079 0.1172 0.0641
Mycobacterium ulcerans hypothetical protein 0.0079 0.1172 0.103
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0167 0.0511
Schistosoma mansoni protein kinase 0.003 0.0162 0.0257
Plasmodium vivax importin-beta 2, putative 0.0031 0.0167 0.0511
Mycobacterium ulcerans phosphoglycerate kinase 0.0181 0.3274 0.461
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1172 0.3579
Trichomonas vaginalis esterase, putative 0.0079 0.1172 0.3579
Mycobacterium ulcerans esterase/lipase LipP 0.0079 0.1172 0.103
Chlamydia trachomatis phosphoglycerate kinase 0.0181 0.3274 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0047 0.0145
Entamoeba histolytica glycogen phosphorylase, putative 0.005 0.0567 0.1733
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0327 0.6299 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.003 0.0162 0.0496
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.003 0.0162 0.0257
Leishmania major phosphoglycerate kinase C, glycosomal 0.0181 0.3274 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.1172 0.186
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0333 0.6438 0.6223
Loa Loa (eye worm) hypothetical protein 0.0031 0.0167 0.0266
Entamoeba histolytica hypothetical protein 0.0025 0.0047 0.0145
Trichomonas vaginalis CAMK family protein kinase 0.003 0.0162 0.0495
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0047 0.0145
Loa Loa (eye worm) hypothetical protein 0.0079 0.1172 0.186
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.003 0.0162 0.0496
Toxoplasma gondii ABC1 family protein 0.0079 0.1172 0.3579
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0066 0.0907 0.2769
Echinococcus multilocularis glycogen phosphorylase 0.0115 0.1925 0.3056
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1172 0.3579
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0066 0.0907 0.2769
Leishmania major phosphoglycerate kinase B, cytosolic 0.0181 0.3274 1
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0333 0.6438 0.6223
Trypanosoma brucei phosphoglycerate kinase 0.0181 0.3274 1
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0333 0.6438 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0162 0.0257
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0181 0.3274 1
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0181 0.3274 0.2869
Brugia malayi Importin beta-1 subunit 0.0031 0.0167 0.0511
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0167 0.0511
Entamoeba histolytica hypothetical protein 0.0041 0.038 0.1161
Schistosoma mansoni importin beta-1 0.0031 0.0167 0.0266
Leishmania major protein kinase, putative 0.003 0.0162 0.0495
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0181 0.3274 1
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1172 0.3579
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1172 0.3579
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1172 0.3579
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0167 0.0266
Brugia malayi RNA, U transporter 1 0.0087 0.1336 0.408
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0162 0.0257
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1172 0.186
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0066 0.0907 0.2769
Mycobacterium ulcerans lipase LipD 0.0079 0.1172 0.103
Entamoeba histolytica phosphoglycerate kinase, putative 0.0181 0.3274 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.003 0.0162 0.0257
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.003 0.0162 0.0257
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0181 0.3274 1
Mycobacterium ulcerans two component transcriptional regulator 0.0333 0.6438 1
Trypanosoma brucei phosphoglycerate kinase 0.0066 0.0907 0.2769
Echinococcus granulosus calcium dependent protein kinase 0.003 0.015 0.0238
Mycobacterium tuberculosis Conserved protein 0.0079 0.1172 0.0641
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0181 0.3274 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.003 0.0162 0.0257
Schistosoma mansoni phosphoglycerate kinase 0.0181 0.3274 0.5198
Echinococcus granulosus glycogen phosphorylase 0.0115 0.1925 0.3056
Trichomonas vaginalis glycogen phosphorylase, putative 0.0115 0.1925 0.5879
Mycobacterium tuberculosis Probable esterase LipL 0.0079 0.1172 0.0641
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1172 0.3579
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0333 0.6438 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.003 0.0162 0.0496
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.003 0.0162 0.0257
Echinococcus granulosus snurportin 1 0.0327 0.6299 1
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0181 0.3274 0.3992
Mycobacterium ulcerans beta-lactamase 0.0079 0.1172 0.103
Mycobacterium tuberculosis Probable lipase LipE 0.0079 0.1172 0.0641
Plasmodium falciparum calcium-dependent protein kinase 5 0.003 0.0162 0.0496
Giardia lamblia Phosphoglycerate kinase 0.0181 0.3274 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0167 0.0511
Brugia malayi carbohydrate phosphorylase 0.0115 0.1925 0.5879
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0047 0.0145
Loa Loa (eye worm) glycogen phosphorylase 0.0115 0.1925 0.3056
Loa Loa (eye worm) hypothetical protein 0.0079 0.1172 0.186
Loa Loa (eye worm) hypothetical protein 0.0079 0.1172 0.186
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.003 0.0162 0.0496
Mycobacterium tuberculosis Probable lipase LipD 0.0079 0.1172 0.0641
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1172 0.186
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.003 0.0162 0.0495
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.003 0.0162 0.0495
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0066 0.0907 0.2769
Leishmania major importin beta-1 subunit, putative 0.0025 0.0047 0.0145
Entamoeba histolytica hypothetical protein 0.0041 0.038 0.1161
Brugia malayi beta-lactamase family protein 0.0079 0.1172 0.3579
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0047 0.0145
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0079 0.1172 0.0641
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.003 0.0162 0.0257
Entamoeba histolytica glycogenphosphorylase, putative 0.005 0.0567 0.1733
Onchocerca volvulus Glycogen phosphorylase homolog 0.0115 0.1925 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.003 0.0162 0.0496
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.003 0.0162 0.0496
Brugia malayi hypothetical protein 0.0041 0.038 0.1161
Brugia malayi Phosphoglycerate kinase 0.0181 0.3274 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0079 0.1172 0.103
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0333 0.6438 0.6223
Plasmodium falciparum calcium-dependent protein kinase 3 0.003 0.0162 0.0496
Trichomonas vaginalis glycogen phosphorylase, putative 0.0115 0.1925 0.5879
Loa Loa (eye worm) beta-lactamase 0.0079 0.1172 0.186
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.1172 0.3579
Giardia lamblia Glycogen phosphorylase 0.0115 0.1925 0.5879
Leishmania major hypothetical protein, conserved 0.0079 0.1172 0.3579
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.1172 0.186
Loa Loa (eye worm) hypothetical protein 0.0079 0.1172 0.186
Mycobacterium tuberculosis Probable hydrolase 0.0079 0.1172 0.0641
Plasmodium vivax hypothetical protein, conserved 0.0079 0.1172 0.3579
Mycobacterium ulcerans hypothetical protein 0.0333 0.6438 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0115 0.1925 0.3056
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0333 0.6438 0.6223
Entamoeba histolytica protein kinase, putative 0.003 0.0162 0.0495
Echinococcus multilocularis snurportin 1 0.0327 0.6299 1
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.015 0.0238
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0066 0.0907 0.2769
Schistosoma mansoni phosphoglycerate kinase 0.0181 0.3274 0.5198
Entamoeba histolytica hypothetical protein 0.0041 0.038 0.1161
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0079 0.1172 0.0641
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1172 0.3579
Mycobacterium ulcerans putative regulatory protein 0.0333 0.6438 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.1172 0.186
Echinococcus granulosus phosphoglycerate kinase 1 0.0181 0.3274 0.5198
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.1172 0.3579
Echinococcus multilocularis phosphoglycerate kinase 1 0.0181 0.3274 0.5198
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0181 0.3274 1
Schistosoma mansoni protein kinase 0.003 0.0162 0.0257
Entamoeba histolytica hypothetical protein 0.0041 0.038 0.1161
Entamoeba histolytica glycogen phosphorylase, putative 0.0115 0.1925 0.5879
Plasmodium vivax calcium-dependent protein kinase, putative 0.003 0.0162 0.0496
Schistosoma mansoni glycogen phosphorylase 0.0115 0.1925 0.3056
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.003 0.0162 0.0496
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.1172 0.186
Schistosoma mansoni hypothetical protein 0.0327 0.6299 1
Plasmodium falciparum calcium-dependent protein kinase 1 0.003 0.0162 0.0496
Entamoeba histolytica glycogen phosphorylase, putative 0.0115 0.1925 0.5879
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.003 0.0162 0.0257
Loa Loa (eye worm) hypothetical protein 0.0079 0.1172 0.186
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0079 0.1172 0.0641
Brugia malayi beta-lactamase family protein 0.0079 0.1172 0.3579
Schistosoma mansoni protein kinase 0.003 0.0162 0.0257
Plasmodium vivax phosphoglycerate kinase, putative 0.0181 0.3274 1
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0181 0.3274 0.5
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0333 0.6438 1
Echinococcus granulosus glycogen phosphorylase 0.0115 0.1925 0.3056
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.003 0.0162 0.0257
Echinococcus granulosus Glycosyl transferase family 35 0.0115 0.1925 0.3056
Brugia malayi beta-lactamase 0.0079 0.1172 0.3579
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.003 0.0162 0.0257
Echinococcus multilocularis glycogen phosphorylase 0.0115 0.1925 0.3056
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0333 0.6438 0.6223

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.25 uM Displacement of [3H]nicotinic acid from mouse GPR10a receptor ChEMBL. 20615702
IC50 (binding) = 0.38 uM Displacement of [3H]nicotinic acid from human GPR10a receptor ChEMBL. 20615702

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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