Compound Detail
CHEMBL491515
GLYCYRRHISOFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL491515 |
| Name | GLYCYRRHISOFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOQWUUJQWPZLAT-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.79
ALogP
6
HBA
4
HBD
111.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.33 | 4.33 | 46300.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.28 | 4.28 | 52800.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.23 | 4.23 | 58700.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.21 | 4.21 | 62100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 33000.0 | nM | 4.48 | Antitrypanosomal activity against Trypanosoma brucei brucei MITat 1.2 variant 22... | 16441066 |
| Leishmania donovani | IC50 | = | 46300.0 | nM | 4.33 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/IS-CL2D axenic a... | 16441066 |
| Vero | IC50 | = | 52800.0 | nM | 4.28 | Cytotoxicity against african green monkey Vero cells | 16441066 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 58700.0 | nM | 4.23 | Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after... | 20724155 |
| PC-3 | IC50 | = | 62100.0 | nM | 4.21 | Cytotoxicity against human PC3 cells | 16441066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28196701 | 10.1016/j.bmcl.2017.01.095 | Unchecked | 7 |
| 16441066 | 10.1021/np0502600 | Leishmania donovani | 1 |
| 16441066 | 10.1021/np0502600 | Trypanosoma brucei brucei | 1 |
| 16441066 | 10.1021/np0502600 | Vero | 1 |
| 16441066 | 10.1021/np0502600 | PC-3 | 1 |
| 20724155 | 10.1016/j.bmcl.2010.07.110 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | MCF7 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | SW480 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | HepG2 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | RAW264.7 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | Unchecked | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 28522265 | 10.1016/j.bmc.2017.05.009 | Mushroom tyrosinase | 1 |
| 28835349 | 10.1016/j.bmc.2017.08.018 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine