Compound Detail
CHEMBL5277599
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CN(C)CCn1cc2c(n1)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]43C)[C@@]1(C)C2
Basic Information
| ChEMBL ID | CHEMBL5277599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPEIXIIOOUQINX-DNVJRSQQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
549.8
MW (Da)
7.34
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.40
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.04 | 5.04 | 9170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 9170.0 | nM | 5.04 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 36701870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36701870 | 10.1016/j.bmc.2023.117177 | RAW264.7 | 2 |
| 36701870 | 10.1016/j.bmc.2023.117177 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine