Compound Detail
CHEMBL56302
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 | CHEMBL56302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKLMMXQEIJTNKX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.01
ALogP
6
HBA
3
HBD
101.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydropteroate synthase CHEMBL4032 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydropteroate synthase | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibition of dihydropteroate synthase from Escherichia coli. | 3906132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3906132 | 10.1021/jm00150a019 | Dihydropteroate synthase | 2 |
Data from ChEMBL 36 via Core Engine