Compound Detail
CHEMBL4228035
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C/C1=C\C2=C(C[C@H](C)C2=O)[C@@H](O)[C@H](C)C[C@@H]2[C@H](C[C@H]1O)[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4228035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGHZGRFONGMTFO-SSOKAPODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
0.06
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HMC1 CHEMBL4296432 | IC50 | 5.71 | 5.71 | 1940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HMC1 | IC50 | = | 1940.0 | nM | 5.71 | Antiinflammatory activity in human HMC1 cells assessed as reduction in PMA/ionop... | 29525220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29525220 | 10.1016/j.bmcl.2018.02.050 | HMC1 | 1 |
Data from ChEMBL 36 via Core Engine