Compound Detail
CHEMBL447696
DIBROMOPHAKELLIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL447696 |
| Name | DIBROMOPHAKELLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKCFBJDWCJAOTN-GXSJLCMTSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
389.1
MW (Da)
1.38
ALogP
5
HBA
2
HBD
75.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.73
EC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor CHEMBL1942 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.73 | 4.6333 | 18700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2B adrenergic receptor | EC50 | = | 4200.0 | nM | 5.38 | Agonist activity at human adrenergic alpha2B receptor expressed in HEK293 cells ... | 19243956 |
| Unchecked | IC50 | = | 18700.0 | nM | 4.73 | Inhibition of chymotryptic-like of purified human 20S immunoproteasome | 22591513 |
| Unchecked | IC50 | = | 25300.0 | nM | 4.6 | Inhibition of chymotryptic-like of purified human 20S proteasome using Suc-LLVY-... | 22591513 |
| Unchecked | IC50 | = | 27100.0 | nM | 4.57 | Inhibition of caspase-like of purified human 20S proteasome using Z-LLE-AMC as s... | 22591513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22591513 | 10.1021/np300231f | Unchecked | 4 |
| 9051914 | 10.1021/np9606106 | OVCAR-3 | 1 |
| 9051914 | 10.1021/np9606106 | SF-295 | 1 |
| 9051914 | 10.1021/np9606106 | A498 | 1 |
| 9051914 | 10.1021/np9606106 | NCI-H460 | 1 |
| 9051914 | 10.1021/np9606106 | KM-20L2 | 1 |
| 9051914 | 10.1021/np9606106 | SK-MEL-5 | 1 |
| 19243956 | 10.1016/j.bmc.2009.01.065 | Alpha-2B adrenergic receptor | 1 |
| 35724567 | 10.1016/j.ejmech.2022.114513 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine