Compound Detail
CHEMBL371500
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NCCCNCCOC1[C@@H](OCSc2ccnc3cc(C(F)(F)F)ccc23)C(N)C[C@@H](N)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL371500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYNYJAPRXMNOGA-ZNSMGHQKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
1.43
ALogP
9
HBA
5
HBD
141.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Kd 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal RNA A-site CHEMBL614640 | Kd | 5.7 | 5.7 | 2000.0 | 1 |
| Nucleic Acid CHEMBL345 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal RNA A-site | Kd | = | 2000.0 | nM | 5.7 | Dissociation constant against 16S rRNA A-site | 16168642 |
| Nucleic Acid | IC50 | = | 2100.0 | nM | 5.68 | Inhibitory concentration against cell-free bacterial transcription / translation... | 16168642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16168642 | 10.1016/j.bmcl.2005.08.027 | Ribosomal RNA A-site | 1 |
| 16168642 | 10.1016/j.bmcl.2005.08.027 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine