Compound Detail
CHEMBL1977780
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C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
Basic Information
| ChEMBL ID | CHEMBL1977780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANKPMKKGZZQDIC-HJSIMFEZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.7
MW (Da)
9.27
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.19 | 5.165 | 6500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 6500.0 | nM | 5.19 | Neuroprotective activity in human SH-SY5Y cells assessed as reduction in oxygen ... | 27420919 |
| NON-PROTEIN TARGET | EC50 | = | 7200.0 | nM | 5.14 | Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 6-OHDA-... | 27420919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27420919 | 10.1021/acs.jnatprod.6b00204 | NON-PROTEIN TARGET | 3 |
Data from ChEMBL 36 via Core Engine