Compound Detail
CHEMBL159139
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
Basic Information
| ChEMBL ID | CHEMBL159139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGFQHVGQLDHRRT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.06
ALogP
10
HBA
3
HBD
141.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydropteroate synthase CHEMBL2364668 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Dihydropteroate synthase CHEMBL4032 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydropteroate synthase | IC50 | = | 700.0 | nM | 6.16 | In vitro concentration required to inhibit partially purified dihydropteroate sy... | 3486292 |
| Dihydropteroate synthase | IC50 | = | 700.0 | nM | 6.16 | Inhibition of Escherichia coli DHPS | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3486292 | 10.1021/jm00155a014 | Dihydropteroate synthase | 1 |
| - | 10.1039/C3MD00104K | Dihydropteroate synthase | 1 |
| - | 10.1039/C3MD00104K | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine