Compound Detail
CHEMBL3746780
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Basic Information
| ChEMBL ID | CHEMBL3746780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBPKOIHNDCWPKO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3747815 |
| Active Moiety | CHEMBL3747815 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.3
MW (Da)
4.34
ALogP
3
HBA
3
HBD
76.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of transglycosylase activity of Escherichia coli PBP1b incubated for ... | 26588190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26588190 | 10.1021/acs.jmedchem.5b01482 | Unchecked | 4 |
| 26588190 | 10.1021/acs.jmedchem.5b01482 | Staphylococcus aureus | 2 |
| 26588190 | 10.1021/acs.jmedchem.5b01482 | Enterococcus faecium | 1 |
| 26588190 | 10.1021/acs.jmedchem.5b01482 | Escherichia coli | 1 |
| 26588190 | 10.1021/acs.jmedchem.5b01482 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine