Compound Detail
CHEMBL226512
GARDENIN B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL226512 |
| Name | GARDENIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXEVSYZNYDZSOB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.20
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 2500.0 | nM | 5.6 | Antagonist activity at PPARgamma (unknown origin) expressed in human LNCaP cells... | 34433102 |
| MCF7 | IC50 | = | 30000.0 | nM | 4.52 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 23800391 |
| HepG2 | IC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 23800391 |
| WI-38 | IC50 | = | 75000.0 | nM | 4.12 | Antiproliferative activity against human WI38 cells after 48 hrs by MTT assay | 23800391 |
| Vero | IC50 | = | 85000.0 | nM | 4.07 | Antiproliferative activity against african green monkey Vero cells after 48 hrs ... | 23800391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10820110 | 10.1021/jf990282q | Spodoptera litura | 2 |
| 17391969 | 10.1016/j.bmc.2007.03.021 | HL-60 | 2 |
| 23800391 | 10.1016/j.ejmech.2013.05.025 | Vero | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | Unchecked | 1 |
| 34433102 | 10.1016/j.bmc.2021.116368 | Peroxisome proliferator-activated receptor gamma | 1 |
| 25562563 | 10.1021/np500671v | Mu-type opioid receptor | 1 |
| 25562563 | 10.1021/np500671v | Delta-type opioid receptor | 1 |
| 23800391 | 10.1016/j.ejmech.2013.05.025 | NON-PROTEIN TARGET | 1 |
| 23800391 | 10.1016/j.ejmech.2013.05.025 | PBL | 1 |
| 23800391 | 10.1016/j.ejmech.2013.05.025 | MCF7 | 1 |
| 23800391 | 10.1016/j.ejmech.2013.05.025 | WI-38 | 1 |
| 23800391 | 10.1016/j.ejmech.2013.05.025 | HepG2 | 1 |
| 19457664 | 10.1016/j.bmcl.2009.05.008 | HL-60 | 1 |
| 19457664 | 10.1016/j.bmcl.2009.05.008 | KB | 1 |
| 521819 | 10.1021/np50005a010 | KB | 1 |
| 16038568 | 10.1021/np050132b | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| - | 10.1021/np50067a028 | Artemia | 1 |
| 17391969 | 10.1016/j.bmc.2007.03.021 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine