Compound Detail
CHEMBL58777
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Basic Information
| ChEMBL ID | CHEMBL58777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEHYZZBOVFPKPX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
2.04
ALogP
8
HBA
3
HBD
122.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydropteroate synthase CHEMBL4032 | IC50 | 5.43 | 5.43 | 3700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydropteroate synthase | IC50 | = | 3700.0 | nM | 5.43 | In vitro concentration required to inhibit partially purified dihydropteroate sy... | 3486292 |
| Dihydropteroate synthase | IC50 | = | 3700.0 | nM | 5.43 | In vitro inhibition of dihydropteroate synthase from Escherichia coli. | 3906132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3906132 | 10.1021/jm00150a019 | Dihydropteroate synthase | 2 |
| 3486292 | 10.1021/jm00155a014 | Dihydropteroate synthase | 1 |
Data from ChEMBL 36 via Core Engine