Compound Detail
CHEMBL458347
GLAUCARUBINONE Enter ChEMBL ID:
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CC[C@](C)(O)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O
Basic Information
| ChEMBL ID | CHEMBL458347 |
| Name | GLAUCARUBINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRBGCYVAJRRQKP-STDAJNJZSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
-0.15
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.4
EC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor Jun CHEMBL4977 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Transcription factor Jun CHEMBL4977 | EC50 | 6.89 | 6.36 | 130.0 | 2 |
| HeLa CHEMBL399 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.3 | 6.15 | 500.0 | 2 |
| HL-60 CHEMBL383 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor Jun | IC50 | = | 40.0 | nM | 7.4 | Inhibition of TPA-induced AP1 transfected in HEK293 cells assessed as inhibition... | 19199792 |
| Transcription factor Jun | EC50 | = | 130.0 | nM | 6.89 | Inhibition of TPA-induced AP-1 activity expressed in human HEK293T cells treated... | 21733691 |
| HeLa | IC50 | = | 270.0 | nM | 6.57 | Inhibition of protein synthesis in human HeLa cells assessed as [35S]methionine ... | 19199792 |
| HL-60 | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against human HL60 cells assessed as inhibition of [3... | 11754601 |
| HL-60 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human HL60 cells assessed as loss of membrane integrity aft... | 11754601 |
| Transcription factor Jun | EC50 | = | 1490.0 | nM | 5.83 | Inhibition of AP-1 (unknown origin) by FRET assay | 24831826 |
| HL-60 | EC50 | = | 1800.0 | nM | 5.75 | Induction of cell differentiation in human HL60 cells assessed as superoxide ani... | 11754601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19199792 | 10.1021/np800732n | Signal transducer and activator of transcription 3 | 6 |
| 11754601 | 10.1021/np010212p | HL-60 | 4 |
| 19199792 | 10.1021/np800732n | NON-PROTEIN TARGET | 3 |
| 19199792 | 10.1021/np800732n | Unchecked | 2 |
| 19199792 | 10.1021/np800732n | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 2 |
| 21733691 | 10.1016/j.bmcl.2011.06.044 | Transcription factor Jun | 2 |
| 19199792 | 10.1021/np800732n | Transcription factor Jun | 1 |
| 24831826 | 10.1021/jm5004733 | Transcription factor Jun | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 21733691 | 10.1016/j.bmcl.2011.06.044 | HEK-293T | 1 |
| 20738103 | 10.1021/np100406d | NON-PROTEIN TARGET | 1 |
| 20738103 | 10.1021/np100406d | KB | 1 |
| 20738103 | 10.1021/np100406d | A549 | 1 |
| 20738103 | 10.1021/np100406d | DU-145 | 1 |
| 19199792 | 10.1021/np800732n | Nucleic Acid | 1 |
| 19199792 | 10.1021/np800732n | HeLa | 1 |
| 19157883 | 10.1016/j.bmc.2008.10.072 | ADMET | 1 |
| 7264678 | 10.1021/np50015a007 | P388 | 1 |
Data from ChEMBL 36 via Core Engine