Detailed information for compound 1846819
Basic information
Technical information
- TDR Targets ID: 1846819
- Name: (2R,3S,5R)-5-(7-aminoimidazo[5,4-b]pyridin-3- yl)-2-(hydroxymethyl)oxolan-3-ol
- MW: 250.254 | Formula: C11H14N4O3
-
H donors: 3
H acceptors: 4
LogP: -0.61
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nccc2N
- InChi: 1S/C11H14N4O3/c12-6-1-2-13-11-10(6)14-5-15(11)9-3-7(17)8(4-16)18-9/h1-2,5,7-9,16-17H,3-4H2,(H2,12,13)/t7-,8+,9+/m0/s1
- InChiKey: NFSMISQRIPNDDE-DJLDLDEBSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (2R,3S,5R)-5-(7-aminoimidazo[5,4-b]pyridin-3-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
- (2R,3S,5R)-5-(7-amino-3-imidazo[5,4-b]pyridinyl)-2-(hydroxymethyl)-3-tetrahydrofuranol
- (2R,3S,5R)-5-(7-aminoimidazo[5,4-b]pyridin-3-yl)-2-methylol-tetrahydrofuran-3-ol
- 1-Deaza-2'-dA
- 2'-Deoxy-1-deazaadenosine
- AIDS-043012
- AIDS043012
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Bos taurus | Adenosine deaminase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Dictyostelium discoideum | adenosine deaminase-related growth factor | Adenosine deaminase | 363 aa | 299 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | Msx-like | 0.0262 | 0.945 | 0.945 |
| Echinococcus granulosus | adenosine deaminase | 0.0104 | 0.1692 | 0.1692 |
| Loa Loa (eye worm) | hypothetical protein | 0.0104 | 0.1692 | 0.1692 |
| Entamoeba histolytica | adenosine deaminase, putative | 0.0104 | 0.1692 | 0.5 |
| Mycobacterium leprae | POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI | 0.0274 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0262 | 0.945 | 0.945 |
| Trypanosoma cruzi | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0274 | 1 | 0.5 |
| Trypanosoma brucei | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0274 | 1 | 0.5 |
| Schistosoma mansoni | 1-acyl-sn-glycerol-3-phosphate o-acyltransferase | 0.0274 | 1 | 1 |
| Trichomonas vaginalis | adenosine deaminase, putative | 0.0104 | 0.1692 | 0.5 |
| Leishmania major | 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative | 0.0274 | 1 | 1 |
| Echinococcus multilocularis | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0274 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.0041 | 0.0041 |
| Echinococcus multilocularis | homeobox | 0.0262 | 0.945 | 0.945 |
| Mycobacterium tuberculosis | Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri | 0.0262 | 0.945 | 0.9338 |
| Mycobacterium ulcerans | bifunctional transmembrane phospholipid biosynthesis enzyme PlsC | 0.0274 | 1 | 1 |
| Schistosoma mansoni | adenosine deaminase-related | 0.0104 | 0.1692 | 0.1692 |
| Mycobacterium tuberculosis | 1-acylglycerol-3-phosphate O-acyltransferase | 0.0274 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0274 | 1 | 1 |
| Echinococcus granulosus | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0274 | 1 | 1 |
| Toxoplasma gondii | acyltransferase domain-containing protein | 0.0274 | 1 | 1 |
| Echinococcus granulosus | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0274 | 1 | 1 |
| Chlamydia trachomatis | glycerol-3-phosphate acyltransferase | 0.0274 | 1 | 0.5 |
| Schistosoma mansoni | adenosine deaminase | 0.0104 | 0.1692 | 0.1692 |
| Echinococcus multilocularis | adenosine deaminase | 0.0104 | 0.1692 | 0.1692 |
| Schistosoma mansoni | transcription factor | 0.0262 | 0.945 | 0.945 |
| Treponema pallidum | lysophosphatidic acid acyltransferase | 0.0274 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.0041 | 0.0041 |
| Mycobacterium ulcerans | 1-acylglycerol-3-phosphate O-acyltransferase | 0.0274 | 1 | 1 |
| Toxoplasma gondii | acyltransferase domain-containing protein | 0.0274 | 1 | 1 |
| Onchocerca volvulus | Adenosine deaminase homolog | 0.0104 | 0.1692 | 1 |
| Echinococcus multilocularis | 1 acyl sn glycerol 3 phosphate acyltransferase | 0.0274 | 1 | 1 |
| Plasmodium falciparum | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0274 | 1 | 1 |
| Loa Loa (eye worm) | acyltransferase | 0.0274 | 1 | 1 |
| Trichomonas vaginalis | adenosine deaminase, putative | 0.0104 | 0.1692 | 0.5 |
| Echinococcus granulosus | Phospholipid glycerol acyltransferase | 0.0274 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.0041 | 0.0041 |
| Entamoeba histolytica | adenosine deaminase, putative | 0.0104 | 0.1692 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | 1-acyl-sn-glycerol-3-phosphate acyltransferase | 0.0274 | 1 | 0.5 |
| Brugia malayi | Adenosine/AMP deaminase family protein | 0.0104 | 0.1692 | 0.1692 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 0.0041 | 0.0041 |
| Echinococcus multilocularis | Phospholipid glycerol acyltransferase | 0.0274 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0274 | 1 | 1 |
| Plasmodium vivax | 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative | 0.0274 | 1 | 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 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 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 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 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 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 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 SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Ki (binding) | = 0.19 uM | Inhibition calf intestine adenosine deaminase | ChEMBL. | 7562937 |
| TC50 (ADMET) | > 100 uM | In vitro evaluation of cytotoxicity in C8166 cells infected with HIV-1 IIIB. | ChEMBL. | 7562937 |
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.
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
- ChEMBL: CHEMBL3143087
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.