Compound Detail
CHEMBL43612
JUGLONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL43612 |
| Name | JUGLONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
40
Targets
65
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.33
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 64 meas. best 8.92
EC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.8 | 5.8 | 15.8 | 3 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Protein disulfide-isomerase CHEMBL5422 | IC50 | 6.2 | 6.08 | 630.0 | 2 |
| HaCaT CHEMBL614392 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 5.93 | 5.64 | 1180.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.7 | 5.7 | 1980.0 | 1 |
| Protein disulfide-isomerase A3 CHEMBL4296001 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Protein disulfide-isomerase A4 CHEMBL4295717 | IC50 | 5.5 | 5.5 | 3160.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.4 | 5.4 | 3950.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | IC50 | 5.3 | 5.0783 | 5000.0 | 6 |
| EA.hy 926 CHEMBL4296410 | IC50 | 5.25 | 5.25 | 5570.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.22 | 4.8325 | 6000.0 | 4 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.21 | 4.65 | 6150.0 | 4 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.19 | 5.19 | 6510.0 | 1 |
| KB CHEMBL398 | IC50 | 5.18 | 5.18 | 6550.0 | 1 |
| SK-MEL-28 CHEMBL614919 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.16 | 5.045 | 7000.0 | 2 |
| U-87 MG CHEMBL614247 | IC50 | 5.13 | 5.13 | 7450.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.11 | 5.11 | 7710.0 | 1 |
| DNA topoisomerase 1 CHEMBL1781 | IC50 | 5.08 | 5.08 | 8260.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.93 | 4.93 | 11670.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Dual specificity protein phosphatase 1 CHEMBL5623 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.89 | 4.8167 | 13000.0 | 3 |
| J774.2 CHEMBL614484 | IC50 | 4.87 | 4.87 | 13360.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.8 | 4.242 | 15730.0 | 5 |
| Arachidonate 5-lipoxygenase CHEMBL2980 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.69 | 4.69 | 20430.0 | 1 |
| KB 3-1 CHEMBL614590 | IC50 | 4.58 | 4.58 | 26400.0 | 1 |
| MDA-MB-453 CHEMBL614334 | IC50 | 4.56 | 4.56 | 27500.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.46 | 4.46 | 34270.0 | 1 |
| ME-180 CHEMBL1075499 | IC50 | 4.18 | 4.18 | 65400.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.05 | 4.05 | 88700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine