Compound Detail
CHEMBL1929043
LICORICIDIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1929043 |
| Name | LICORICIDIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBRZTUJCDFSIHM-KRWDZBQOSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
5.55
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 300.0 | nM | 6.52 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... | 26841168 |
| MCF7 | IC50 | = | 5200.0 | nM | 5.28 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability af... | 26841168 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of recombinant human PTP1B (1 to 321 residues) expressed in Escherich... | 32196343 |
| A549 | IC50 | = | 6900.0 | nM | 5.16 | Cytotoxicity against human A549 cells assessed as reduction in cell viability af... | 26841168 |
| SW480 | IC50 | = | 7100.0 | nM | 5.15 | Cytotoxicity against human SW480 cells assessed as reduction in cell viability a... | 26841168 |
| Acetylcholinesterase | IC50 | = | 15500.0 | nM | 4.81 | Inhibition AChE (unknown origin) using ATCI as substrate assessed as hydrolysis ... | 26841168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24479468 | 10.1021/np400788r | Streptococcus mutans | 2 |
| 24479468 | 10.1021/np400788r | Porphyromonas gingivalis | 2 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Acetylcholinesterase | 2 |
| 22074222 | 10.1021/np2004775 | Streptococcus mutans | 1 |
| 22074222 | 10.1021/np2004775 | Streptococcus sobrinus | 1 |
| 22074222 | 10.1021/np2004775 | Fusobacterium nucleatum | 1 |
| 22074222 | 10.1021/np2004775 | Porphyromonas gingivalis | 1 |
| 22074222 | 10.1021/np2004775 | Prevotella intermedia | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | HepG2 | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | SW480 | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | A549 | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | MCF7 | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 26841168 | 10.1021/acs.jnatprod.5b00877 | MDCK | 1 |
| 32196343 | 10.1021/acs.jnatprod.9b00262 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine