Compound Detail
CHEMBL2172394
(-)-OLEOCANTHAL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2172394 |
| Name | (-)-OLEOCANTHAL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPOVFCBNUOUZGG-VAKDEWRISA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.22
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 5.32 | 5.29 | 4800.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.12 | 4.97 | 7500.0 | 2 |
| A549 CHEMBL392 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| NCI-H322M CHEMBL614803 | IC50 | 4.58 | 4.58 | 26300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of recombinant human His-tagged c-MET expressed in baculovirus expres... | 26692349 |
| Hepatocyte growth factor receptor | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of c-MET phosphorylation (unknown origin) after 1 hr by Z'-LYTE kinas... | 23403296 |
| MDA-MB-231 | IC50 | = | 7500.0 | nM | 5.12 | Antimigratory activity against human MDA-MB-231 cells after 24 hrs by wound heal... | 23403296 |
| A549 | IC50 | = | 10000.0 | nM | 5.0 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 38733884 |
| MDA-MB-231 | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human MDA-MB-231 cells after 24 hrs by MTT assay | 23403296 |
| NCI-H322M | IC50 | = | 26300.0 | nM | 4.58 | Antiproliferative activity against human NCI-H322M cells assessed as cell growth... | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22988908 | 10.1021/np300384h | Unchecked | 5 |
| 23403296 | 10.1016/j.bmc.2012.12.050 | MDA-MB-231 | 4 |
| 23403296 | 10.1016/j.bmc.2012.12.050 | Hepatocyte growth factor receptor | 3 |
| 26692349 | 10.1016/j.bmc.2015.11.038 | Hepatocyte growth factor receptor | 3 |
| 23403296 | 10.1016/j.bmc.2012.12.050 | MCF-10A | 2 |
| 24568174 | 10.1021/np401010x | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | A549 | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | NCI-H322M | 1 |
Data from ChEMBL 36 via Core Engine