Compound Detail
CHEMBL550505
UGONIN O Enter ChEMBL ID:
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CC1(C)CC=C[C@]2(C)Oc3c(O)cc4oc5c(=O)c6c(O)cc(O)cc6oc5c4c3C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL550505 |
| Name | UGONIN O |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYRBYPPKPYWQQK-NSYGIPOTSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
5.11
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.47 | 5.44 | 3400.0 | 2 |
| BV-2 CHEMBL614781 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3300.0 | nM | 5.48 | Antiosteoporotic activity in mouse RAW264.7 cells assessed as inhibition of RANK... | 28169537 |
| NON-PROTEIN TARGET | IC50 | = | 3400.0 | nM | 5.47 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/Cy... | 19583252 |
| NON-PROTEIN TARGET | IC50 | = | 3900.0 | nM | 5.41 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/cy... | 19583252 |
| BV-2 | IC50 | = | 7700.0 | nM | 5.11 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc... | 28169537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19583252 | 10.1021/np900148a | NON-PROTEIN TARGET | 2 |
| 28169537 | 10.1021/acs.jnatprod.5b01164 | RAW264.7 | 2 |
| 19583252 | 10.1021/np900148a | ADMET | 1 |
| 19583252 | 10.1021/np900148a | HepG2 | 1 |
| 19583252 | 10.1021/np900148a | MCF7 | 1 |
| 28169537 | 10.1021/acs.jnatprod.5b01164 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine