Compound Detail
CHEMBL474967
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NC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL474967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNBQIDOUCINBIA-VVPCINPTSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
13
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
-6.65
ALogP
14
HBA
10
HBD
262.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 6.38 | 6.38 | 415.0 | 1 |
| Bacterial 70S ribosome CHEMBL2363135 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 4.7 | 10'3/M | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 415.0 | nM | 6.38 | Inhibition of protein translation in Escherichia coli by coupled transcription/t... | 19309154 |
| Bacterial 70S ribosome | IC50 | = | 460.0 | nM | 6.34 | Inhibition of ribosomal activity in Escherichia coli strain B assessed as inhibi... | 20409719 |
| Unchecked | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of ribosomal activity in Spodoptera frugiperda Sf21 cells assessed as... | 20409719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19309154 | 10.1021/jm801640k | Nucleic Acid | 8 |
| 19309154 | 10.1021/jm801640k | ADMET | 7 |
| 20409719 | 10.1016/j.bmc.2010.03.060 | Ribosome | 6 |
| 20409719 | 10.1016/j.bmc.2010.03.060 | Unchecked | 3 |
| 19309154 | 10.1021/jm801640k | Ribosomal RNA A-site | 2 |
| 19309154 | 10.1021/jm801640k | Escherichia coli | 2 |
| 19309154 | 10.1021/jm801640k | HEK293 | 1 |
| 19309154 | 10.1021/jm801640k | MDCK | 1 |
| 19309154 | 10.1021/jm801640k | Mus musculus | 1 |
| 20409719 | 10.1016/j.bmc.2010.03.060 | Bacillus subtilis | 1 |
| 20409719 | 10.1016/j.bmc.2010.03.060 | Escherichia coli | 1 |
| 20409719 | 10.1016/j.bmc.2010.03.060 | Bacterial 70S ribosome | 1 |
| 20409719 | 10.1016/j.bmc.2010.03.060 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine