Compound Detail
CHEMBL117489
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
NC(N)=NCCC[C@H]1COc2ccc(NS(=O)(=O)c3ccc4nc(O)c(O)nc4c3)cc2C(=O)NC[C@@H](N)C(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL117489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTKFRVOTYYYEME-CLLDFNAGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
749.8
MW (Da)
-0.86
ALogP
13
HBA
10
HBD
325.4
PSA (Ų)
0.04
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of cell free transcription/translation by Escherichia coli s30 bacter... | 12139453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139453 | 10.1021/jm010437x | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine