Compound Detail
CHEMBL307863
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
C/C=C(\C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)CC)c2c(ccc3ccc(=O)oc23)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL307863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRWOJBMSRFQRMT-TXOWBGNISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.47
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 5100.0 | nM | 5.29 | Inhibitory activity against LPS-induced NO production in mouse peritoneal macrop... | 9873511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873511 | 10.1016/s0960-894x(98)00391-6 | Rattus norvegicus | 2 |
| 9873511 | 10.1016/s0960-894x(98)00391-6 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine