Compound Detail
CHEMBL448515
2,6-DIMETHOXYQUINONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL448515 |
| Name | 2,6-DIMETHOXYQUINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLBNOBQOQZRLMP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
168.2
MW (Da)
0.20
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM1.S CHEMBL4296471 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Hexokinase HKDC1 CHEMBL1741200 | IC50 | 5.6 | 5.525 | 2490.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM1.S | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against human MM1.S cells assessed as inhibition of c... | 36512676 |
| Hexokinase HKDC1 | IC50 | = | 2490.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Antiproliferative activity against human MM1.R cells assessed as inhibition of c... | 36512676 |
| Hexokinase HKDC1 | IC50 | = | 3540.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of hexokinase domain ... | - |
| RPMI-8226 | IC50 | = | 10800.0 | nM | 4.97 | Antiproliferative activity against human RPMI-8226 cells assessed as inhibition ... | 36512676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18461966 | 10.1021/jf800331r | Coptotermes formosanus | 4 |
| 24984937 | 10.1016/j.bmc.2014.06.004 | No relevant target | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1021/np50016a019 | KB | 1 |
| 6875580 | 10.1021/np50026a020 | P388 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 24984937 | 10.1016/j.bmc.2014.06.004 | Botulinum neurotoxin type A | 1 |
| 36512676 | 10.1021/acs.jnatprod.2c00406 | RPMI-8226 | 1 |
| 36512676 | 10.1021/acs.jnatprod.2c00406 | MM1.S | 1 |
| 36512676 | 10.1021/acs.jnatprod.2c00406 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine