Compound Detail
CHEMBL1631495
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NCC[C@H](O)C(=O)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 | CHEMBL1631495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVNXFAATSXFNAH-IGSLCTNXSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
-4.10
ALogP
9
HBA
8
HBD
191.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.16
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | EC50 | = | 6900.0 | nM | 5.16 | Binding affinity to RNA by RNA fluorescence assay | 21041083 |
| Unchecked | EC50 | = | 6900.0 | nM | 5.16 | 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