Compound Detail
CHEMBL495269
HARUNGANIN 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
CC(C)=CCc1c(C)cc(O)c2c(O)c3c(cc12)C(CC=C(C)C)(CC=C(C)C)C(O)=CC3=O
Basic Information
| ChEMBL ID | CHEMBL495269 |
| Name | HARUNGANIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STXNXYCDWWHABB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
7.66
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.22 | 4.82 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Saccharomyces sp. alpha glucosidase by spectrophotometry | 16499321 |
| Unchecked | IC50 | = | 37700.0 | nM | 4.42 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... | 26727375 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16499321 | 10.1021/np050407n | Unchecked | 2 |
| 12828475 | 10.1021/np020566w | MCF7 | 1 |
| 12828475 | 10.1021/np020566w | NCI-H460 | 1 |
| 12828475 | 10.1021/np020566w | SF-268 | 1 |
| 26727375 | 10.1021/acs.jnatprod.5b00924 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine