Compound Detail
CHEMBL452184
OBOLACTONE 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
Basic Information
| ChEMBL ID | CHEMBL452184 |
| Name | OBOLACTONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZGGCMIUTMKVIG-WADNSWHXSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.20
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 3000.0 | nM | 5.52 | Cytotoxicity against human KB cells | 15165150 |
| Trypanosoma brucei brucei | IC50 | = | 5300.0 | nM | 5.28 | Antitrypanosomal activity against Trypanosoma brucei brucei | 20558060 |
| HEK293 | IC50 | = | 13200.0 | nM | 4.88 | Cytotoxicity against HEK239 cells after 72 hrs by Alamar blue assay | 20558060 |
| HeLa | IC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against human HeLa cells after 72 hrs by Alamar blue assay | 20558060 |
| MCF7 | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against human MCF7 cells after 72 hrs by Alamar blue assay | 20558060 |
| A549 | IC50 | = | 43000.0 | nM | 4.37 | Cytotoxicity against human A549 cells after 72 hrs by Alamar blue assay | 20558060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15165150 | 10.1021/np030510h | KB | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | Trypanosoma brucei brucei | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | HEK293 | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | Unchecked | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | A549 | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | MCF7 | 1 |
| 20558060 | 10.1016/j.bmcl.2010.05.091 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine