Compound Detail
CHEMBL336184
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COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@]4(C)C=C(C=O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL336184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHAWJSBWINUXKR-GZNFCTEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
6.05
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 100.0 | nM | 7.0 | Inhibition of nitric oxide (NO) production induced by interferon-gamma (IFN-gamm... | 11063620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063620 | 10.1021/jm0002230 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine