Compound Detail
CHEMBL32991
BROMOPHENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL32991 |
| Name | BROMOPHENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXODBIOSWNNKJM-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
501.8
MW (Da)
5.81
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.52
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.5
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA A receptor alpha-1/beta-1/gamma-2 CHEMBL2111392 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 6.14 | 6.14 | 720.0 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | EC50 | 5.97 | 5.97 | 1080.0 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 5.67 | 5.67 | 2140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA A receptor alpha-1/beta-1/gamma-2 | EC50 | = | 320.0 | nM | 6.5 | Agonist activity at recombinant human GABAA receptor alpha1beta1gamma2L expresse... | 28606760 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | EC50 | = | 720.0 | nM | 6.14 | Agonist activity at recombinant human GABAA receptor alpha1beta2gamma2L expresse... | 28606760 |
| GABA A receptor alpha-2/beta-2/gamma-2 | EC50 | = | 1080.0 | nM | 5.97 | Agonist activity at recombinant human GABAA receptor alpha2beta2gamma2L expresse... | 28606760 |
| Staphylococcus aureus | IC50 | = | 2140.0 | nM | 5.67 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 20973551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12668007 | 10.1016/s0960-894x(03)00156-2 | Calcium-activated potassium channel subunit alpha-1 | 1 |
| 12668007 | 10.1016/s0960-894x(03)00156-2 | No relevant target | 1 |
| 20973551 | 10.1021/np100506z | Staphylococcus aureus | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | GABA A receptor alpha-1/beta-1/gamma-2 | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine