Compound Detail
CHEMBL1165553
BROMODIOLONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1165553 |
| Name | BROMODIOLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWNRRUFOJXFKCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
2
Known Names
Molecular Properties
527.4
MW (Da)
7.18
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9160.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4080.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9160.9 | nM | 5.04 | PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20116902 | 10.1016/j.ejmech.2009.12.070 | Cholesteryl ester transfer protein | 1 |
| 37741121 | 10.1016/j.bmc.2023.117453 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine