Detailed information for compound 1481864

Basic information

Technical information
  • TDR Targets ID: 1481864
  • Name: 2-[[2-(2,2-dimethylpropanoylamino)acetyl]amin o]pentanoic acid
  • MW: 258.314 | Formula: C12H22N2O4
  • H donors: 3 H acceptors: 4 LogP: 1.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(C(=O)O)NC(=O)CNC(=O)C(C)(C)C
  • InChi: 1S/C12H22N2O4/c1-5-6-8(10(16)17)14-9(15)7-13-11(18)12(2,3)4/h8H,5-7H2,1-4H3,(H,13,18)(H,14,15)(H,16,17)
  • InChiKey: SJBOIMQYLRCZSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxoethyl]amino]pentanoic acid
  • 2-[[2-(pivaloylamino)acetyl]amino]valeric acid
  • 2-[2-(2,2-dimethylpropanoylamino)ethanoylamino]pentanoic acid
  • STOCK1S-57625
  • MLS000078452
  • SMR000039488

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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.311 0.2938
Loa Loa (eye worm) hypothetical protein 0.0071 0.5127 0.5758
Plasmodium falciparum thioredoxin reductase 0.0038 0.1948 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2713 0.29
Plasmodium falciparum glutathione reductase 0.0038 0.1948 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2713 0.3047
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.2881 0.1558
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.6632 0.8342
Mycobacterium tuberculosis Probable reductase 0.0086 0.6632 0.8342
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.1948 1
Echinococcus granulosus glycogen phosphorylase 0.011 0.8905 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0096 0.7562 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4415 0.4309
Echinococcus multilocularis glycogen phosphorylase 0.011 0.8905 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.4415 0.4957
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4415 0.4309
Brugia malayi Thioredoxin reductase 0.0038 0.1948 0.1521
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.1997 0.2079
Echinococcus multilocularis glycogen phosphorylase 0.011 0.8905 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.011 0.8905 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.2001 0.2247
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.1948 0.2188
Brugia malayi hypothetical protein 0.0025 0.0729 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2713 0.2576
Brugia malayi TAR-binding protein 0.0063 0.4415 0.4527
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2713 0.2576
Giardia lamblia Glycogen phosphorylase 0.011 0.8905 0.5
Schistosoma mansoni glycogen phosphorylase 0.011 0.8905 0.8884
Echinococcus multilocularis tar DNA binding protein 0.0063 0.4415 0.4851
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.6632 0.8342
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.177 0.1818
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.2881 0.1558
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0047 0.2881 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1586 0.108
Toxoplasma gondii thioredoxin reductase 0.0038 0.1948 1
Schistosoma mansoni hypothetical protein 0.0036 0.177 0.1615
Loa Loa (eye worm) hypothetical protein 0.005 0.311 0.3493
Entamoeba histolytica glycogen phosphorylase, putative 0.011 0.8905 1
Loa Loa (eye worm) glycogen phosphorylase 0.011 0.8905 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2713 0.2454
Trichomonas vaginalis glycogen phosphorylase, putative 0.011 0.8905 0.5
Brugia malayi Bromodomain containing protein 0.0075 0.5541 0.59
Onchocerca volvulus Glycogen phosphorylase homolog 0.011 0.8905 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0096 0.7562 1
Brugia malayi glutathione reductase 0.0038 0.1948 0.1521
Echinococcus granulosus Glycosyl transferase family 35 0.011 0.8905 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.6632 0.8342
Entamoeba histolytica glycogenphosphorylase, putative 0.0047 0.2881 0.1558
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.6632 0.8342
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4415 0.4309
Trypanosoma brucei trypanothione reductase 0.0038 0.1948 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1586 0.1781
Brugia malayi carbohydrate phosphorylase 0.011 0.8905 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0287 0.0322
Schistosoma mansoni glycogen phosphorylase 0.011 0.8905 0.8884
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.311 0.2938
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0471 0.0292
Loa Loa (eye worm) hypothetical protein 0.0041 0.223 0.2504
Schistosoma mansoni hypothetical protein 0.0034 0.1586 0.1428
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.177 0.1615
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2713 0.29
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.1948 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0096 0.7562 1
Schistosoma mansoni bromodomain containing protein 0.0063 0.4408 0.4303
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.4415 0.4527
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4415 0.4309
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2713 0.29
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0096 0.7562 1
Schistosoma mansoni glycogen phosphorylase 0.0047 0.2881 0.2747
Brugia malayi hypothetical protein 0.0036 0.177 0.1303
Entamoeba histolytica glycogen phosphorylase, putative 0.011 0.8905 1
Loa Loa (eye worm) TAR-binding protein 0.0063 0.4415 0.4957
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0471 0.0329
Leishmania major trypanothione reductase 0.0038 0.1948 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.311 0.3493
Brugia malayi RNA binding protein 0.0063 0.4415 0.4527
Echinococcus granulosus tar DNA binding protein 0.0063 0.4415 0.4851
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1765 0.1813
Echinococcus multilocularis Glycosyl transferase, family 35 0.011 0.8905 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.4062 0.4447
Chlamydia trachomatis glycogen phosphorylase 0.011 0.8905 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.4415 0.4309
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.6632 0.8342
Loa Loa (eye worm) hypothetical protein 0.0043 0.2414 0.2711
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0471 0.0329
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.4062 0.4447
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.1997 0.2079
Loa Loa (eye worm) glutathione reductase 0.0038 0.1948 0.2188
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1765 0.1813
Schistosoma mansoni hypothetical protein 0.0021 0.0287 0.0104
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.177 0.1818
Brugia malayi Bromodomain containing protein 0.0038 0.1994 0.1577
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2713 0.2576
Plasmodium vivax glutathione reductase, putative 0.0038 0.1948 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2713 0.29
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0047 0.2881 0.1661
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.4415 0.4957
Loa Loa (eye worm) hypothetical protein 0.0025 0.0729 0.0818
Echinococcus granulosus glycogen phosphorylase 0.011 0.8905 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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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