Detailed information for compound 502894

Basic information

Technical information
  • TDR Targets ID: 502894
  • Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymeth yl)oxolan-2-yl]-4-iodopyrazole-3-carboxamide
  • MW: 369.113 | Formula: C9H12IN3O5
  • H donors: 4 H acceptors: 5 LogP: -1.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c(n1)C(=O)N)I
  • InChi: 1S/C9H12IN3O5/c10-3-1-13(12-5(3)8(11)17)9-7(16)6(15)4(2-14)18-9/h1,4,6-7,9,14-16H,2H2,(H2,11,17)/t4-,6-,7-,9-/m1/s1
  • InChiKey: QONCHRHGFNMWIN-FJGDRVTGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-iodo-pyrazole-3-carboxamide
  • 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-iodo-3-pyrazolecarboxamide
  • 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iodo-pyrazole-3-carboxamide
  • 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-iodo-pyrazole-3-carboxamide
  • 138787-01-6
  • 1-beta-D-Ribofuranosyl-4-iodopyrazole-3-carboxamide
  • 1-.beta.-D-Ribofuranosyl-4-iodopyrazole-3-carboxamide
  • AIDS-003806
  • AIDS003806

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 0.0505 1 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0144 0 0.5
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0144 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0144 0 0.5
Entamoeba histolytica protein kinase, putative 0.0144 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0505 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0144 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0144 0 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0505 1 1
Trichomonas vaginalis AGC family protein kinase 0.0144 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0144 0 0.5
Brugia malayi phosphoinositide-dependent protein kinase I 0.0144 0 0.5
Toxoplasma gondii hypothetical protein 0.0505 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 68 % Antiviral activity against poliovirus infected HeLa S3 cells assessed as plaque formation at 2 mM ChEMBL. 18067241
Activity (functional) = 76 % Antiviral activity against poliovirus infected HeLa S3 cells assessed as plaque formation at 0.5 mM relative to control ChEMBL. 18067241
ED90 (functional) = 20 uM Effective dose of the compound which reduces the HIV-1 yield in C8166 cells by 90% ChEMBL. 1548681
IC50 (functional) = 2.1 uM Compound was tested for its effect on the proliferation of MT-4 cells expressing the TAT gene of HTLV-1. ChEMBL. No reference
IC50 (functional) = 2.4 uM Compound was tested for its effect on the proliferation of CCRF-CEM human lymphoblastic T-leukemia cell line. ChEMBL. No reference
IC50 (functional) = 4 uM Compound was tested for its effect on the proliferation of C8166 cells expressing the TAT gene of HTLV-1. ChEMBL. No reference
IC50 (functional) = 9.1 uM Compound was tested for its effect on the proliferation of MOLT-4 human lymphoblastic T-leukemia cell line. ChEMBL. No reference
IC50 (functional) > 300 uM Compound was tested for its effect on the proliferation of L1210 murine leukemia cell line. ChEMBL. No reference
IC50 (functional) > 300 uM Compound was tested for its effect on the proliferation of RAJI burkitt lymphoma cell line. ChEMBL. No reference
IC50 (functional) > 300 uM Compound was tested for its effect on the proliferation of CCRF-SB human lymphoblastic B-leukemia cell line. ChEMBL. No reference
IC50 (functional) > 300 uM Compound was tested for its effect on the proliferation of WIL-2-NS cell line. ChEMBL. No reference
IC50 (functional) > 300 uM Compound was tested for its effect on the proliferation of HT-29 human colon adenocarcinoma. ChEMBL. No reference
IC50 (functional) > 300 uM Compound was tested for its effect on the proliferation of ACHN human kidney adenocarcinoma ChEMBL. No reference
ID50 (functional) = 20 uM Compound concentration required to reduce by 50% the number of H9 cells chronically infected with the HIV-1 (H9/IIIB) after three cell cycles ChEMBL. 1548681
ID50 (functional) > 1350 uM Compound concentration required to reduce by 50% the number of murine lymphocytic leukemia (L1210) cells after three cell cycles ChEMBL. 1548681
ID50 (functional) > 1350 uM Compound concentration required to reduce by 50% the number of human B (Raji)cells after three cell cycles ChEMBL. 1548681

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

1 literature reference was collected for this gene.

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