Compound Detail
CHEMBL1527
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Basic Information
| ChEMBL ID | CHEMBL1527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTQNYBBTZSBWKL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
230.2
MW (Da)
2.03
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.68 | 1100.0 | 2 |
| Autoinducer 2-binding periplasmic protein LuxP CHEMBL6100 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of tau K19 (unknown origin) aggregation assessed as inhibition of pai... | 23484434 |
| Autoinducer 2-binding periplasmic protein LuxP | IC50 | = | 4000.0 | nM | 5.4 | Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibiti... | 18262415 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of quorum sensing regulated bioluminescence in Vibrio harveyi | 20669927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 2 |
| 23484434 | 10.1021/jm3017317 | Unchecked | 2 |
| 18262415 | 10.1016/j.bmcl.2008.01.081 | Autoinducer 2-binding periplasmic protein LuxP | 1 |
| 18262415 | 10.1016/j.bmcl.2008.01.081 | Vibrio harveyi | 1 |
| 20669927 | 10.1021/jm901742e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine