Compound Detail
CHEMBL4090988
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CC1(C)CCC[C@@]2(C)Oc3c(c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c34)C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL4090988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWGPELCDBUFEAW-PXDATVDWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
5.10
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.62 | 4.62 | 24100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 24100.0 | nM | 4.62 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc... | 28169537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28169537 | 10.1021/acs.jnatprod.5b01164 | RAW264.7 | 2 |
| 28169537 | 10.1021/acs.jnatprod.5b01164 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine