Compound Detail
CHEMBL300760
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COC(=O)C1=C[C@]2(C)[C@H]3CC=C4C5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL300760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQPPGSHVNSAFIY-HCQHVGQSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
6.76
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.66 | 5.66 | 2200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 2200.0 | nM | 5.66 | 50 percent inhibitory concentration of compound to inhibit nitric oxide producti... | 10794703 |
| Mus musculus | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against production of nitric oxide induced by interferon-gam... | 10617085 |
| Mus musculus | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of nitric oxide (NO) production induced by interferon-gamma (IFN-gamm... | 11063620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794703 | 10.1021/jm000008j | Mus musculus | 1 |
| 10617085 | 10.1016/s0960-894x(99)00623-x | Mus musculus | 1 |
| 11063620 | 10.1021/jm0002230 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine