Detailed information for compound 1648520

Basic information

Technical information
  • TDR Targets ID: 1648520
  • Name: 2-(3-aminopropylsulfanyl)acetic acid
  • MW: 149.211 | Formula: C5H11NO2S
  • H donors: 2 H acceptors: 2 LogP: -2.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCSCC(=O)O
  • InChi: 1S/C5H11NO2S/c6-2-1-3-9-4-5(7)8/h1-4,6H2,(H,7,8)
  • InChiKey: DRPIARVWHCYTHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-aminopropylthio)acetic acid
  • 2-(3-aminopropylsulfanyl)ethanoic acid
  • NCI60_008538
  • ((3-Aminopropyl)thio)acetic acid
  • AIDS-132607
  • AIDS132607
  • NSC626947

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) hypothetical protein 0.0045 0.1751 0.1751
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0128 0.6264 0.6264
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0128 0.6264 0.6264
Trypanosoma cruzi WLM domain containing protein, putative 0.0045 0.1751 1
Plasmodium falciparum importin beta, putative 0.0018 0.0266 0.0424
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0128 0.6264 1
Brugia malayi YY1-associated factor 2 0.0045 0.1751 0.2796
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0128 0.6264 1
Schistosoma mansoni hypothetical protein 0.0128 0.6264 0.6264
Schistosoma mansoni zinc finger protein 0.0045 0.1751 0.1751
Echinococcus multilocularis ring and YY1 binding protein 0.0045 0.1751 0.1751
Echinococcus multilocularis SWI:SNF matrix associated 0.0128 0.6264 0.6264
Schistosoma mansoni fusion 0.0045 0.1751 0.1751
Echinococcus granulosus Zinc finger RanBP2 type 0.0045 0.1751 0.1751
Loa Loa (eye worm) hypothetical protein 0.0018 0.0266 0.0266
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0196 1 1
Chlamydia trachomatis DNA topoisomerase I 0.0128 0.6264 0.5
Trichomonas vaginalis importin beta-1, putative 0.0015 0.0075 0.012
Entamoeba histolytica hypothetical protein 0.0015 0.0075 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0015 0.0075 0.043
Schistosoma mansoni RNA binding protein 0.0045 0.1751 0.1751
Brugia malayi Importin beta-1 subunit 0.0018 0.0266 0.0424
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0045 0.1751 0.2796
Echinococcus granulosus ring and YY1 binding protein 0.0045 0.1751 0.1751
Schistosoma mansoni hypothetical protein 0.0045 0.1751 0.1751
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0045 0.1751 0.2796
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0045 0.1751 0.2796
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0266 0.1517
Leishmania major hypothetical protein, conserved 0.0045 0.1751 1
Echinococcus multilocularis importin subunit beta 1 0.0018 0.0266 0.0266
Brugia malayi brahma associated protein 60 kDa 0.0128 0.6264 1
Plasmodium vivax importin-beta 2, putative 0.0018 0.0266 0.0424
Loa Loa (eye worm) brahma associated protein 0.0128 0.6264 0.6264
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0045 0.1751 0.1751
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0045 0.1751 0.2796
Loa Loa (eye worm) hypothetical protein 0.0045 0.1751 0.1751
Schistosoma mansoni TRABID protein (C64 family) 0.0045 0.1751 0.1751
Leishmania major importin beta-1 subunit, putative 0.0015 0.0075 0.043
Leishmania major hypothetical protein, conserved 0.0045 0.1751 1
Trypanosoma brucei hypothetical protein, conserved 0.0045 0.1751 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1751 0.1751
Echinococcus multilocularis zinc finger protein Ran binding 0.0045 0.1751 0.1751
Loa Loa (eye worm) hypothetical protein 0.0045 0.1751 0.1751
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.1751 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0128 0.6264 0.6264
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0014 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.1751 0.1751
Schistosoma mansoni hypothetical protein 0.0128 0.6264 0.6264
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.1751 1
Brugia malayi RNA, U transporter 1 0.0052 0.2121 0.3386
Leishmania major hypothetical protein, conserved 0.0045 0.1751 1
Echinococcus granulosus SWI:SNF matrix associated 0.0128 0.6264 0.6264
Echinococcus granulosus zinc finger protein Ran binding 0.0045 0.1751 0.1751
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0045 0.1751 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0045 0.1751 1
Echinococcus granulosus importin subunit beta 1 0.0018 0.0266 0.0266
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0045 0.1751 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0045 0.1751 1
Echinococcus multilocularis snurportin 1 0.0196 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0015 0.0075 0.012
Echinococcus multilocularis SWI:SNF matrix associated 0.0128 0.6264 0.6264
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0045 0.1751 1
Chlamydia trachomatis SWIB complex protein 0.0128 0.6264 0.5
Schistosoma mansoni hypothetical protein 0.0196 1 1
Plasmodium vivax hypothetical protein, conserved 0.0128 0.6264 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0015 0.0075 0.012
Schistosoma mansoni brg-1 associated factor 0.0128 0.6264 0.6264
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0128 0.6264 1
Trypanosoma cruzi hypothetical protein, conserved 0.0045 0.1751 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0128 0.6264 0.6264
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0045 0.1751 0.1751
Brugia malayi SWIB/MDM2 domain containing protein 0.0128 0.6264 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0045 0.1751 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0045 0.1751 0.2796
Trypanosoma cruzi WLM domain containing protein, putative 0.0045 0.1751 1
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.6264 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0128 0.6264 1
Toxoplasma gondii ran binding protein 0.0045 0.1751 0.2796
Schistosoma mansoni hypothetical protein 0.0128 0.6264 0.6264
Trypanosoma brucei importin beta-1 subunit, putative 0.0018 0.0266 0.1517
Schistosoma mansoni importin beta-1 0.0018 0.0266 0.0266
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0045 0.1751 0.1751
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0045 0.1751 0.2796
Leishmania major hypothetical protein, conserved 0.0045 0.1751 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0045 0.1751 1
Trypanosoma brucei hypothetical protein, conserved 0.0045 0.1751 1
Brugia malayi brahma associated protein 60 kDa 0.0128 0.6264 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0128 0.6264 1
Onchocerca volvulus 0.0128 0.6264 1
Leishmania major hypothetical protein, conserved 0.0045 0.1751 1
Toxoplasma gondii HEAT repeat-containing protein 0.0018 0.0266 0.0424

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 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 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 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 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 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 MALME-3M 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 SK-MEL-5 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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