Compound Detail
CHEMBL1235156
PENTABROMOPSEUDILIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1235156 |
| Name | PENTABROMOPSEUDILIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXMNWKJHYOZUQL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
6.20
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.43
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unconventional myosin-Va CHEMBL1781866 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Myosin light chain kinase 2, skeletal/cardiac muscle CHEMBL4739674 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 100.0 | nM | 7.0 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 20973551 |
| Unconventional myosin-Va | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of chicken myosin 5a assessed as ATP hydrolysis | 21534527 |
| Myosin light chain kinase 2, skeletal/cardiac muscle | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of rabbit skeletal muscle myosin-2 ATPase incubated for 20 mins follo... | 33341499 |
| Unchecked | IC50 | = | 24400.0 | nM | 4.61 | Inhibition of Dictyostelium discoideum myosin 2 motor domain-activated ATPase ac... | 21534527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33341499 | 10.1016/j.bmc.2020.115928 | MDA-MB-231 | 5 |
| 20973551 | 10.1021/np100506z | Staphylococcus aureus | 1 |
| 21534527 | 10.1021/jm200259f | Unchecked | 1 |
| 21534527 | 10.1021/jm200259f | Unconventional myosin-Va | 1 |
| 33341499 | 10.1016/j.bmc.2020.115928 | Unchecked | 1 |
| 33341499 | 10.1016/j.bmc.2020.115928 | Myosin light chain kinase 2, skeletal/cardiac muscle | 1 |
| 33341499 | 10.1016/j.bmc.2020.115928 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine