Compound Detail
CHEMBL56503
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COC(=O)[C@]12CCC(C)(C)CC1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL56503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKEIKGCWFSUYLM-FLHPMONLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
491.7
MW (Da)
7.20
ALogP
4
HBA
0
HBD
67.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.16 | 6.16 | 700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 700.0 | nM | 6.16 | 50 percent inhibitory concentration of compound to inhibit nitric oxide producti... | 10794703 |
| Mus musculus | IC50 | = | 700.0 | nM | 6.16 | Inhibitory activity against production of nitric oxide induced by interferon-gam... | 10617085 |
| Mus musculus | IC50 | = | 700.0 | nM | 6.16 | 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