Compound Detail
CHEMBL448217
4-HYDROXYISOLONCHOCARPIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL448217 |
| Name | 4-HYDROXYISOLONCHOCARPIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYPURLGLYLCBSU-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.18
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells | 32208222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18951808 | 10.1016/j.bmc.2008.09.064 | Bacillus cereus | 2 |
| 18951808 | 10.1016/j.bmc.2008.09.064 | Escherichia coli | 2 |
| 18951808 | 10.1016/j.bmc.2008.09.064 | Pseudomonas aeruginosa | 2 |
| 18951808 | 10.1016/j.bmc.2008.09.064 | Staphylococcus aureus | 2 |
| - | 10.1007/s00044-011-9938-0 | Alpha-glucosidase MAL62 | 1 |
| 32208222 | 10.1016/j.ejmech.2020.112216 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine