Detailed information for compound 1624674

Basic information

Technical information
  • TDR Targets ID: 1624674
  • Name: 1-cyano-2-propylguanidine
  • MW: 126.16 | Formula: C5H10N4
  • H donors: 2 H acceptors: 1 LogP: 0.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN/C(=N/C#N)/N
  • InChi: 1S/C5H10N4/c1-2-3-8-5(7)9-4-6/h2-3H2,1H3,(H3,7,8,9)
  • InChiKey: QIGXZTUCWRZELB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-cyano-2-propyl-guanidine
  • N-Cyano-N'-propylguanidine
  • NSC643480
  • NCI60_014716
  • AIDS-137896
  • AIDS137896

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
Echinococcus granulosus tumor protein p63 0.0294 0.1493 0.1471
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1722 1 1
Leishmania major eukaryotic translation initiation factor-like 0.1722 1 1
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.1722 1 1
Giardia lamblia Translation elongation factor 0.0205 0.0967 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0205 0.0967 0.0806
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0072 0.0175 0.5
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0205 0.0967 0.0943
Loa Loa (eye worm) hypothetical protein 0.0072 0.0175 0.0175
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.1722 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0219 0.1047 0.1024
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0072 0.0175 1
Giardia lamblia Hypothetical protein 0.0205 0.0967 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1722 1 1
Onchocerca volvulus 0.0045 0.001 0.0102
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.1722 1 1
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0205 0.0967 1
Schistosoma mansoni survival motor neuron protein 0.0045 0.001 0.001
Schistosoma mansoni microtubule-associated protein tau 0.1178 0.676 0.676
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.1722 1 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1722 1 1
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0205 0.0967 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.02 0.0935 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1722 1 1
Brugia malayi Probable ClpP-like protease 0.0072 0.0175 0.0165
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0205 0.0967 1
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0205 0.0967 0.0967
Echinococcus multilocularis tumor protein p63 0.0294 0.1493 0.1471
Leishmania major eukaryotic translation initiation factor-like protein 0.1722 1 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1722 1 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0072 0.0175 0.0149
Echinococcus multilocularis microtubule associated protein 2 0.1178 0.676 0.6752
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0072 0.0175 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1722 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0072 0.0175 0.5
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.1722 1 1
Plasmodium vivax hypothetical protein, conserved 0.0205 0.0967 1
Giardia lamblia hypothetical protein 0.0205 0.0967 0.5
Loa Loa (eye worm) hypothetical protein 0.0219 0.1047 0.1047
Brugia malayi hypothetical protein 0.0219 0.1047 0.1039
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0072 0.0175 0.5
Loa Loa (eye worm) translation initiation factor 4E 0.1722 1 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1722 1 1
Toxoplasma gondii hypothetical protein 0.0205 0.0967 0.0806
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0072 0.0175 0.0149
Schistosoma mansoni hypothetical protein 0.0045 0.001 0.001
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.1722 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0219 0.1047 0.1024
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1722 1 1
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0205 0.0967 0.0967
Echinococcus granulosus microtubule associated protein 2 0.1178 0.676 0.6752
Schistosoma mansoni peptidase Clp (S14 family) 0.0072 0.0175 0.0175
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0205 0.0967 0.0958
Plasmodium vivax translation initiation factor 4E, putative 0.0205 0.0967 1
Giardia lamblia Hypothetical protein 0.0205 0.0967 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0072 0.0175 0.5
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0205 0.0967 0.0958
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0072 0.0175 0.5

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 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 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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