Compound Detail
CHEMBL1928491
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Basic Information
| ChEMBL ID | CHEMBL1928491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZGUTSFAPDWRMW-GIDUJCDVSA-N |
4
Targets
21
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
264.7
MW (Da)
1.99
ALogP
6
HBA
3
HBD
90.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 12 meas. best 6.59
IC50 8 meas. best 4.99
Kd 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.52 | 9.52 | 0.3 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.59 | 5.5557 | 254.0 | 7 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.98 | 5.98 | 1047.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.29 | 5.1075 | 5074.0 | 4 |
| NIH3T3 CHEMBL614822 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.3757 | 11750.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22104972 | 10.1016/j.ejmech.2011.10.052 | Staphylococcus aureus | 2 |
| 22104972 | 10.1016/j.ejmech.2011.10.052 | NIH3T3 | 2 |
| 22104972 | 10.1016/j.ejmech.2011.10.052 | Escherichia coli | 1 |
| 22104972 | 10.1016/j.ejmech.2011.10.052 | Enterococcus faecalis | 1 |
| 22104972 | 10.1016/j.ejmech.2011.10.052 | Enterococcus faecium | 1 |
| 22104972 | 10.1016/j.ejmech.2011.10.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine