Compound Detail
CHEMBL66280
5-IODO,5'-DEOXYTUBERCIDIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL66280 |
| Name | 5-IODO,5'-DEOXYTUBERCIDIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTXUAWGNGBSCRS-TZQXKBMNSA-N |
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
376.1
MW (Da)
0.26
ALogP
7
HBA
3
HBD
106.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine kinase CHEMBL3589 | IC50 | 9.05 | 8.1483 | 0.9 | 6 |
| Adenosine kinase CHEMBL2384 | IC50 | 8.8 | 8.795 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine kinase | IC50 | = | 0.9 | nM | 9.05 | Inhibition of human cytosolic AK | 17154503 |
| Adenosine kinase | IC50 | = | 1.6 | nM | 8.8 | In vitro inhibition of Adenosine kinase (AK) | 11405650 |
| Adenosine kinase | IC50 | = | 1.63 | nM | 8.79 | In vitro inhibition of Adenosine kinase of rat brain cytosol. | 11549437 |
| Adenosine kinase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human adenosine kinase activity | 11958989 |
| Adenosine kinase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of recombinant human adenosine kinase | 10956196 |
| Adenosine kinase | IC50 | = | 9.0 | nM | 8.05 | Inhibitory concentration against human recombinant adenosine kinase using [14C]A... | 16190769 |
| Adenosine kinase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human adenosine kinase assessed as reduction in conversion of aden... | 27410258 |
| Adenosine kinase | IC50 | = | 22.8 | nM | 7.64 | Inhibition of adenosine phosphorylation in confluent IMR-32 (human neuroblastoma... | 11405650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11405650 | 10.1021/jm000314x | Adenosine kinase | 2 |
| 11958989 | 10.1016/s0960-894x(02)00042-2 | Adenosine kinase | 1 |
| 11549437 | 10.1016/s0960-894x(01)00454-1 | Adenosine kinase | 1 |
| 15149648 | 10.1016/j.bmcl.2004.04.040 | Adenosine kinase | 1 |
| 10956196 | 10.1021/jm000024g | Adenosine kinase | 1 |
| 10956196 | 10.1021/jm000024g | Rattus norvegicus | 1 |
| 16190769 | 10.1021/jm0503650 | Adenosine kinase | 1 |
| 17154503 | 10.1021/jm060189a | Adenosine kinase | 1 |
| 18359230 | 10.1016/j.bmc.2008.03.027 | Adenosine kinase | 1 |
| - | 10.1007/s00044-004-0048-0 | Adenosine kinase | 1 |
| 27410258 | 10.1021/acs.jmedchem.6b00689 | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine