Compound Detail
CHEMBL2012417
PHOYUNBENE B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2012417 |
| Name | PHOYUNBENE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VACLJIVMBBSOOR-SNAWJCMRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
3.29
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.43 | 4.43 | 37100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.34 | 4.34 | 45800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 37100.0 | nM | 4.43 | Cytotoxicity against human HepG2 cells after 24 hrs by MTT assay | 22326393 |
| NON-PROTEIN TARGET | IC50 | = | 45800.0 | nM | 4.34 | Cytotoxicity against human FHCC-98 cells after 24 hrs by MTT assay | 22326393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22326393 | 10.1016/j.bmcl.2011.12.095 | HepG2 | 26 |
| 22326393 | 10.1016/j.bmcl.2011.12.095 | ADMET | 3 |
| 22326393 | 10.1016/j.bmcl.2011.12.095 | Unchecked | 3 |
| 22326393 | 10.1016/j.bmcl.2011.12.095 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine