Compound Detail
CHEMBL4280434
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CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)C=C3CC[C@@H]2C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4280434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDAVJCMVYUQZRW-BHNQRHOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
3.85
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Coagulation factor X CHEMBL244 | IC50 | 5.52 | 5.52 | 3026.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Coagulation factor X | IC50 | = | 3026.0 | nM | 5.52 | Inhibition of human coagulation factor 10a using Z-D-Arg-Gly-Arg-pNA.2HCl as sub... | 30340898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30340898 | 10.1016/j.bmcl.2018.05.036 | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine