Compound Detail
CHEMBL1631492
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N[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1631492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQZYORNOCKXPPZ-WNWDDGRKSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
-2.96
ALogP
7
HBA
6
HBD
142.2
PSA (Ų)
0.27
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
EC50 2 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 4.13 | 4.13 | 74000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.13 | 4.13 | 74000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 74000.0 | nM | 4.13 | Binding affinity to RNA by RNA fluorescence assay | 21041083 |
| Unchecked | EC50 | = | 74000.0 | nM | 4.13 | Binding affinity to 2AP-labelled duplex RNA (unknown origin) by fluorescence spe... | 24457095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21041083 | 10.1016/j.bmcl.2010.10.001 | Nucleic Acid | 1 |
| 21041083 | 10.1016/j.bmcl.2010.10.001 | Bacterial 70S ribosome | 1 |
| 21041083 | 10.1016/j.bmcl.2010.10.001 | Ribosome | 1 |
| 24457095 | 10.1016/j.bmc.2013.12.068 | Bacterial 70S ribosome | 1 |
| 24457095 | 10.1016/j.bmc.2013.12.068 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine