Detailed information for compound 151992

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 258.276 | Formula: C13H14N4O2
  • H donors: 1 H acceptors: 3 LogP: 1.66 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC2C(N1c1nc3c(o1)cccn3)CCCC2
  • InChi: 1S/C13H14N4O2/c18-12-15-8-4-1-2-5-9(8)17(12)13-16-11-10(19-13)6-3-7-14-11/h3,6-9H,1-2,4-5H2,(H,15,18)
  • InChiKey: TVQBBUXMWAXFBW-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens gamma-aminobutyric acid (GABA) A receptor, alpha 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
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein gamma-aminobutyric acid (GABA) A receptor, alpha 2 451 aa 393 aa 25.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0538 0.0538
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Leishmania major cysteine peptidase A (CPA) 0.0022 0.1157 0.0654
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0002 0.0002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0002 0.0002
Echinococcus granulosus cathepsin l cysteine peptidase 0.0022 0.1157 0.1157
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0015 0.0002 0.0002
Loa Loa (eye worm) CYP4Cod1 0.0028 0.1965 0.1965
Onchocerca volvulus 0.0022 0.1157 0.1157
Schistosoma mansoni nAChR subunit 0.0015 0.0002 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0015 0.0002 0.0002
Mycobacterium leprae Conserved hypothetical protein 0.0018 0.0538 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.1157 0.1157
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0079 1 1
Brugia malayi cytochrome P450 0.0018 0.0538 0.0538
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0015 0.0002 0.0002
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0015 0.0002 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1157 0.1157
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0015 0.0002 0.0002
Onchocerca volvulus 0.0022 0.1157 0.1157
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Onchocerca volvulus 0.0022 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0079 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1157 0.1157
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0015 0.0002 0.0002
Loa Loa (eye worm) LGC-31 protein 0.0015 0.0002 0.0002
Onchocerca volvulus Cathepsin F homolog 0.0022 0.1157 0.1157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Loa Loa (eye worm) ACC-1 protein 0.0015 0.0002 0.0002
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.1965 0.1965
Onchocerca volvulus 0.0022 0.1157 0.1157
Echinococcus multilocularis 0.0018 0.0538 0.0536
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0079 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1157 0.1157
Brugia malayi Cytochrome P450 family protein 0.0028 0.1965 0.1965
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0015 0.0002 0.0002
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0015 0.0002 0.0002
Toxoplasma gondii cathepsin CPL 0.0022 0.1157 0.0654
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni cytochrome P450 0.0018 0.0538 0.0538
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0002 0.0002
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0015 0.0002 0.0002
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0002 0.0002
Onchocerca volvulus 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Onchocerca volvulus 0.0015 0.0002 0.0002
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0015 0.0002 0.0002
Loa Loa (eye worm) cysteine protease 0.0022 0.1157 0.1157
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.1157 0.1157
Schistosoma mansoni hypothetical protein 0.0018 0.0538 0.0538
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0079 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0002 0.0002
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.1965 0.1965
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0015 0.0002 0.0002
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0022 0.1157 0.1157
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Onchocerca volvulus 0.0015 0.0002 0.0002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0002 0.0002
Brugia malayi Cathepsin L-like precursor 0.0022 0.1157 0.1157
Trypanosoma brucei cytochrome P450, putative 0.0028 0.1965 0.1508
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0015 0.0002 0.0002
Brugia malayi Cathepsin L-like precursor 0.0022 0.1157 0.1157
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0015 0.0002 0.0002
Schistosoma mansoni nAChR subunit 0.0015 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Loa Loa (eye worm) ACC-1 protein 0.0015 0.0002 0.0002
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Onchocerca volvulus 0.0022 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0079 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0079 1 1
Onchocerca volvulus Cathepsin L homolog 0.0022 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni nAChR subunit 0.0015 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0002 0.0002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0002 0.0002
Onchocerca volvulus Cathepsin L homolog 0.0022 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.1157 0.1155
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Echinococcus granulosus nAChR subunit 0.0015 0.0002 0.0002
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0015 0.0002 0.0002
Onchocerca volvulus 0.0015 0.0002 0.0002
Plasmodium falciparum eukaryotic initiation factor 4A 0.0079 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0079 1 1
Echinococcus granulosus cathepsin l1 0.0022 0.1157 0.1157
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0079 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.1157 0.1157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0015 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0079 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0079 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Onchocerca volvulus 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.1157 0.1157
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0015 0.0002 0.0002
Leishmania major eukaryotic initiation factor 4a, putative 0.0079 1 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0018 0.0538 0.0538
Brugia malayi Cytochrome P450 family protein 0.0018 0.0538 0.0538
Schistosoma mansoni nAChR subunit 0.0015 0.0002 0.0002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0002 0.0002
Onchocerca volvulus 0.0015 0.0002 0.0002
Loa Loa (eye worm) fibroinase 0.0022 0.1157 0.1157
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.1157 0.1155
Leishmania major cytochrome p450-like protein 0.0028 0.1965 0.1508
Brugia malayi Cathepsin L-like precursor 0.0022 0.1157 0.1157
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0002 0.0002
Echinococcus granulosus cathepsin L cysteine proteinase 0.0022 0.1157 0.1157
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Schistosoma mansoni nAChR subunit 0.0015 0.0002 0.0002
Mycobacterium leprae putative cytochrome p450 0.0018 0.0538 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0015 0.0002 0.0002
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0015 0.0002 0.0002
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.1157 0.1157
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Brugia malayi Cathepsin L-like precursor 0.0022 0.1157 0.1157
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.0002 0.0002
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.1965 1
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.1157 0.1157
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.1965 0.1965
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0015 0.0002 0.0002
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Entamoeba histolytica cysteine protease, putative 0.0022 0.1157 0.1157
Onchocerca volvulus 0.0015 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0079 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.6751 0.6751
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.1965 0.1965
Echinococcus multilocularis cysteine protease 0.0022 0.1157 0.1155
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.1157 0.1155
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0079 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.1157 0.1157
Brugia malayi Cathepsin L-like precursor 0.0022 0.1157 0.1157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.0002 0.0002
Echinococcus multilocularis cysteine protease 0.0022 0.1157 0.1155
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0079 1 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0018 0.0538 0.0538
Loa Loa (eye worm) ctsf protein 0.0022 0.1157 0.1157
Brugia malayi Cation transporter family protein 0.0015 0.0002 0.0002
Treponema pallidum ATP-dependent RNA helicase 0.0079 1 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0015 0.0002 0.0002
Onchocerca volvulus 0.0015 0.0002 0.0002
Plasmodium vivax RNA helicase-1, putative 0.0079 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Leishmania major eukaryotic initiation factor 4a, putative 0.0079 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0079 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.1157 0.1155
Brugia malayi Cation transporter family protein 0.0015 0.0002 0.0002
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni nAChR subunit 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Onchocerca volvulus Putative nachr subunit 0.0015 0.0002 0.0002
Brugia malayi Cathepsin L-like precursor 0.0022 0.1157 0.1157
Loa Loa (eye worm) cytochrome P450 0.0018 0.0538 0.0538
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0002 0.0002
Brugia malayi Cytochrome P450 family protein 0.0058 0.6751 0.6751
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0015 0.0002 0.0002
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Brugia malayi excitatory GABA receptor EXP-1A 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Schistosoma mansoni nAChR subunit 0.0015 0.0002 0.0002
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.1157 0.1157
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0079 1 1
Brugia malayi Cytochrome P450 family protein 0.0028 0.1965 0.1965
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0015 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0002 0.0002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0002 0.0002
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0079 1 1
Leishmania major cathepsin L-like protease 0.0022 0.1157 0.0654
Brugia malayi Cation transporter family protein 0.0015 0.0002 0.0002
Echinococcus granulosus eukaryotic initiation factor 4A 0.0079 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.1157 0.0654
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.1157 0.1157
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0538 0.0538

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 1000 nM Binding affinity against GABA-A benzodiazepine receptor ChEMBL. 11133077
Ki (binding) > 1000 nM Binding affinity against GABA-A benzodiazepine receptor ChEMBL. 11133077

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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