Compound Detail
CHEMBL5188983
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C=C(C)[C@@H]1CC[C@]2(NC[C@@H]3CCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5188983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKGOIYLOINYCRP-GWKBZWDMSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.9
MW (Da)
7.60
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.39
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.06 | 4.5867 | 8700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of RANKL/M-CSF-induced osteoclastogenesis in mouse RAW264.7 cells mea... | 34491054 |
| RAW264.7 | IC50 | = | 20720.0 | nM | 4.68 | Antiinflammatory activity against LPS-induced mouse RAW264.7 cells assessed as r... | 34491054 |
| RAW264.7 | IC50 | = | 95580.0 | nM | 4.02 | Antiinflammatory activity against LPS-induced mouse RAW264.7 cells assessed as r... | 34491054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34491054 | 10.1021/acs.jmedchem.1c01019 | RAW264.7 | 6 |
| 34491054 | 10.1021/acs.jmedchem.1c01019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine