Compound Detail
CHEMBL5280253
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@@H](O)[C@H]1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5280253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BISOEENGZHMDEO-YMYWOGEWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
-4.57
ALogP
13
HBA
7
HBD
253.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Escherichia coli RNA polymerase | 27607900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27607900 | 10.1021/acs.jmedchem.6b00325 | Unchecked | 2 |
| 27607900 | 10.1021/acs.jmedchem.6b00325 | Mycolicibacterium smegmatis | 1 |
| 27607900 | 10.1021/acs.jmedchem.6b00325 | Streptococcus pneumoniae | 1 |
| 27607900 | 10.1021/acs.jmedchem.6b00325 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine