Compound Detail
CHEMBL494826
METHYLCURCUMIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL494826 |
| Name | METHYLCURCUMIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXGYVBOZRLQICP-VUSYVUDMSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.16
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LNCaP CHEMBL612518 | IC50 | 5.17 | 4.75 | 6800.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.68 | 4.58 | 20900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LNCaP | IC50 | = | 6800.0 | nM | 5.17 | Antiproliferative activity against human LNCAP cells after 72 hrs by MTT assay | 19249204 |
| MDA-MB-231 | IC50 | = | 7200.0 | nM | 5.14 | Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT as... | 19249204 |
| MCF7 | IC50 | = | 15400.0 | nM | 4.81 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay | 19249204 |
| PC-3 | IC50 | = | 20900.0 | nM | 4.68 | Antiproliferative activity against human PC3 cells after 72 hrs by MTT assay | 19249204 |
| PC-3 | IC50 | = | 33100.0 | nM | 4.48 | Cytotoxicity against androgen-independent human PC3 cells after 72 hrs by SRB as... | 22672984 |
| LNCaP | IC50 | = | 47000.0 | nM | 4.33 | Cytotoxicity against androgen-dependent human LNCAP cells after 72 hrs by SRB as... | 22672984 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22672984 | 10.1016/j.bmc.2012.05.011 | PC-3 | 3 |
| 22672984 | 10.1016/j.bmc.2012.05.011 | LNCaP | 2 |
| 25753330 | 10.1016/j.bmc.2015.02.003 | Epidermal growth factor receptor | 2 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | PC-3 | 1 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | LNCaP | 1 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | MCF7 | 1 |
| 19249204 | 10.1016/j.bmcl.2009.01.104 | MDA-MB-231 | 1 |
| 25753330 | 10.1016/j.bmc.2015.02.003 | Unchecked | 1 |
| 25753330 | 10.1016/j.bmc.2015.02.003 | NCI-H1975 | 1 |
| 25753330 | 10.1016/j.bmc.2015.02.003 | NON-PROTEIN TARGET | 1 |
| 32273215 | 10.1016/j.bmcl.2020.127171 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine