Compound Detail
CHEMBL1807167
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1(C)OC(=O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1807167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGAWWKJPNCEIOU-LPXJIFNVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
6.35
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.13 | 4.13 | 73540.0 | 1 |
| Hepatitis B virus CHEMBL613497 | IC50 | 4.09 | 4.09 | 81900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 73540.0 | nM | 4.13 | Cytotoxicity against human NTUB1 cells after 72 hrs by MTT assay | 21696969 |
| Hepatitis B virus | IC50 | = | 81900.0 | nM | 4.09 | Antiviral activity against Hepatitis B virus infected in human HepG2.215 cells a... | 29627260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29627260 | 10.1016/j.bmcl.2018.03.076 | Hepatitis B virus | 3 |
| 29627260 | 10.1016/j.bmcl.2018.03.076 | Unchecked | 2 |
| 21696969 | 10.1016/j.bmc.2011.05.054 | NON-PROTEIN TARGET | 1 |
| 29627260 | 10.1016/j.bmcl.2018.03.076 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine