Compound Detail
CHEMBL44192
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COC1=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 | CHEMBL44192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTGSTAURDGZBLV-OKVRPVKOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.7
MW (Da)
7.19
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.72 | 4.57 | 19000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 19000.0 | nM | 4.72 | Compound was evaluated for inhibitory activity against production of nitric oxid... | 9873608 |
| Mus musculus | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory activity on IFN-gamma-induced nitric oxide production in mouse macrop... | - |
| Mus musculus | IC50 | = | 30000.0 | nM | 4.52 | 50 percent inhibitory concentration of compound to inhibit nitric oxide producti... | 10794703 |
| Mus musculus | IC50 | = | 30000.0 | nM | 4.52 | Inhibitory activity against production of nitric oxide induced by interferon-gam... | 10617085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00279-5 | Mus musculus | 1 |
| 10794703 | 10.1021/jm000008j | Mus musculus | 1 |
| 10617085 | 10.1016/s0960-894x(99)00623-x | Mus musculus | 1 |
| 9873608 | 10.1016/s0960-894x(98)00479-x | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine