Detailed information for compound 1605808

Basic information

Technical information
  • TDR Targets ID: 1605808
  • Name: 1-Aminocyclopentane-1,2-dicarboxylic acid
  • MW: 173.167 | Formula: C7H11NO4
  • H donors: 3 H acceptors: 4 LogP: -2.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1CCCC1(N)C(=O)O
  • InChi: 1S/C7H11NO4/c8-7(6(11)12)3-1-2-4(7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)
  • InChiKey: ICCJHMNYUMDWSP-UHFFFAOYSA-N  

Network

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Synonyms

  • 7399-37-3
  • 1,2-Cyclopentanedicarboxylic acid, 1-amino-
  • CB 1701
  • GY4040000
  • NSC54407
  • 1-amino-1,2-cyclopentanedicarboxylic acid
  • NCI60_004341

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 bifunctional dihydrofolate reductase-thymidylate synthase 0.069 0.2868 0.2868
Brugia malayi Tyrosine-protein kinase abl-1 0.0516 0.21 0.21
Echinococcus multilocularis tyrosine protein kinase ABL1 0.1265 0.5413 0.5413
Brugia malayi thymidylate synthase 0.069 0.2868 0.2868
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.157 0.6761 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.157 0.6761 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.0516 0.21 0.21
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2303 1 1
Schistosoma mansoni tyrosine kinase 0.1247 0.5333 0.5333
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.069 0.2868 0.1831
Trichomonas vaginalis conserved hypothetical protein 0.0328 0.127 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.157 0.6761 0.5
Echinococcus granulosus thymidylate synthase 0.069 0.2868 0.2868
Echinococcus multilocularis thymidylate synthase 0.069 0.2868 0.2868
Chlamydia trachomatis dihydrofolate reductase 0.2303 1 0.5
Brugia malayi Dihydrofolate reductase 0.2303 1 1
Onchocerca volvulus 0.069 0.2868 0.5
Loa Loa (eye worm) hypothetical protein 0.048 0.1941 0.1941
Loa Loa (eye worm) thymidylate synthase 0.069 0.2868 0.2868
Echinococcus multilocularis dihydrofolate reductase 0.2303 1 1
Brugia malayi hypothetical protein 0.0328 0.127 0.127
Loa Loa (eye worm) dihydrofolate reductase 0.2303 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2303 1 1
Echinococcus granulosus dihydrofolate reductase 0.2303 1 1
Schistosoma mansoni dihydrofolate reductase 0.2303 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.1265 0.5413 0.5413
Echinococcus granulosus tyrosine protein kinase ABL1 0.1265 0.5413 0.5413
Brugia malayi Tyrosine-protein kinase abl-1 0.0767 0.3211 0.3211
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.157 0.6761 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.157 0.6761 0.5
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2303 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.157 0.6761 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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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