Compound Detail
CHEMBL301402
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)C2C1
Basic Information
| ChEMBL ID | CHEMBL301402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHXDQDKLJJMKNM-PEKWGEHZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
7.94
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.14 | 5.14 | 7300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 7300.0 | nM | 5.14 | 50 percent inhibitory concentration of compound to inhibit nitric oxide producti... | 10794703 |
| Mus musculus | IC50 | = | 7300.0 | nM | 5.14 | Inhibitory activity against production of nitric oxide induced by interferon-gam... | 10617085 |
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 |
Data from ChEMBL 36 via Core Engine