Compound Detail
CHEMBL5178328
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1=C[C@@]2(C)/C=C(\C)CC/C=C(\C)[C@@H]3C(C)=C[C@H]4[C@@H]([C@@H](C)CC[C@@H]4O)[C@]3(C)C(=O)C3=C(O)[C@@]2(C[C@H]1C)OC3=O
Basic Information
| ChEMBL ID | CHEMBL5178328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSWPHUYQJATONQ-FMJGVCAWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
6.95
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 5.42 | 5.0967 | 3800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 3800.0 | nM | 5.42 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 35640100 |
| Staphylococcus aureus | IC50 | = | 8400.0 | nM | 5.08 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 35640100 |
| Staphylococcus aureus | IC50 | = | 16400.0 | nM | 4.79 | Antibacterial activity against Staphylococcus aureus ATCC 25923 incubated for 16... | 35640100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Staphylococcus aureus | 3 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | NCI-H460 | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | SW-620 | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Candida albicans | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Escherichia coli | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Mycobacterium tuberculosis variant bovis | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Mycobacterium tuberculosis | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Enterococcus faecalis | 1 |
| 35640100 | 10.1021/acs.jnatprod.2c00444 | Enterococcus faecium | 1 |
Data from ChEMBL 36 via Core Engine