Compound Detail
CHEMBL126813
HARUNGANOL B Enter ChEMBL ID:
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CC(C)=CCc1c(C)c(CC=C(C)C)c2c(c1O)C(=O)c1c(O)cc(O)c(CC=C(C)C)c1C2
Basic Information
| ChEMBL ID | CHEMBL126813 |
| Name | HARUNGANOL B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYQNZJZELQIDNF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
6.77
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of Saccharomyces sp. alpha glucosidase by spectrophotometry | 16499321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9371243 | 10.1021/jm970292n | Molecular identity unknown | 2 |
| 17352491 | 10.1021/np060556l | Priestia megaterium | 2 |
| 17352491 | 10.1021/np060556l | [Chlorella] fusca | 2 |
| 17352491 | 10.1021/np060556l | Microbotryum violaceum | 2 |
| 16499321 | 10.1021/np050407n | Unchecked | 2 |
| 9371243 | 10.1021/jm970292n | No relevant target | 1 |
| 9371243 | 10.1021/jm970292n | Arachidonate 5-lipoxygenase | 1 |
| 9371243 | 10.1021/jm970292n | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine