| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 34 | No |
Popular Name: Enoxolone Enoxolone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1449-05-4 , 471-53-4 , [1449-05-4] , [471-53-4]
(18alpha)-3beta-Hydroxy-11-oxoolean-12-en-30-oic acid
18-a-Glycyrrhetinic Acid [1449-05-4]
18-a-GLYCYRRHETINIC ACID; [1449-05-4]
18-b-GLYCYRRHETINIC ACID; [471-53-4]
18-beta-Glycyrrhetinic acid, 98+%
18-Glycyrrhetinic acid [471-53-4]
3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid
3beta-Hydroxy-11-oxoolean-12-en-30-oic acid
471-53-4; D00156; Enoxolone (INN); Glycyrrhetinic acid (JAN); Hidermart (TN)
C02283; Enoxolone; Glycyrrhetinate; Glycyrrhetinic acid
Enoxolone, Glycyrrhetinic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.62 | 11.48 | -62.34 | 1 | 4 | -1 | 77 | 469.686 | 1 | ↓ |
| Ref Reference (pH 7) | 5.62 | 11.49 | -61.44 | 1 | 4 | -1 | 77 | 469.686 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 5.62 | 9.52 | -14.08 | 2 | 4 | 0 | 75 | 470.694 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 5.62 | 9.52 | -13.54 | 2 | 4 | 0 | 75 | 470.694 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_use | Antibacterial, antitussive agent | ZereneX Building Blocks |
| mechanism | . | ZereneX Building Blocks |
| M.P | 279-280C | Indofine Natural Products |
| Mp [°C] | 292 - 295 | Acros Organics |
| M.P | 292-295 °C | Indofine Natural Products |
| MP | 331-333°C | Indofine |
| Purity | 97% | APIChem |
| biological_source | Aglycone from Glycyrrhiza glabra and some other plants | ZereneX Building Blocks |
| Indications | anti-inflammatory | KeyOrganics Bioactives |
| Indications | antibacterial | KeyOrganics Bioactives |
| biological_use | Antibacterial, antitussive agent | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antiinflammatory | IBScreen Bioactives |
| Therapy | antitussive, antiinflammatory, antibacterial | SMDC Pharmakon |
| mechanism | Calcium-mobilizer in P815 cells in-vitro | IBScreen Bioactives IBScreen Bioactives |
| Target | Dehydrogenase | Selleck Chemicals |
| PUBCHEM_PATENT_ID | EP0069380A1; EP0081438A2; EP0087993A1; EP0093520A1; EP0100516A2; EP0156565A2; EP0156565B1; EP0179277A1; EP0212332A2; EP0220719A2; EP0255420A2; EP0269966A1; EP0269966B1; EP0272478A1; EP0272478B1; EP0272492A2; EP0272492B1; EP0275222A2; EP0277400A1; EP027740 | IBM Patent Data |
| Target | Others | Selleck Chemicals |
| mechanism | Reported to inhibit reactive oxygen species generation by human neutrophils in-vitro | IBScreen Bioactives |
| mechanism | Reported to trap hydroxyl radicals to suppress rat liver injury caused by ischemia-perfusion | IBScreen Bioactives |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| biological_use | Used in treatment of noninfective inflammatory disorders (skin, mouth, etc.) | IBScreen Bioactives |
| APPEARANCE | White powder | Indofine Natural Products |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1-2-E | 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5 | 0.34 | Binding ≤ 10μM |
| DHI2-1-E | 11-beta-hydroxysteroid Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 257 | 0.27 | Binding ≤ 10μM |
| KPCL-1-E | Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 250 | 0.27 | Binding ≤ 10μM |
| PTN11-2-E | Protein-tyrosine Phosphatase 2C (cluster #2 Of 3), Eukaryotic | Eukaryotes | 9600 | 0.21 | Binding ≤ 10μM |
| Z80418-3-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other | Other | 1300 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_RAT | P16232 | 11-beta-hydroxysteroid Dehydrogenase 1, Rat | 90 | 0.29 | Binding ≤ 1μM |
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 10.58 | 0.33 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 11.78 | 0.33 | Binding ≤ 1μM |
| DHI2_HUMAN | P80365 | 11-beta-hydroxysteroid Dehydrogenase 2, Human | 257 | 0.27 | Binding ≤ 1μM |
| DHI2_RAT | P50233 | 11-beta-hydroxysteroid Dehydrogenase 2, Rat | 360 | 0.27 | Binding ≤ 1μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 250 | 0.27 | Binding ≤ 1μM |
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 10.58 | 0.33 | Binding ≤ 10μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 11.78 | 0.33 | Binding ≤ 10μM |
| DHI1_RAT | P16232 | 11-beta-hydroxysteroid Dehydrogenase 1, Rat | 90 | 0.29 | Binding ≤ 10μM |
| DHI2_HUMAN | P80365 | 11-beta-hydroxysteroid Dehydrogenase 2, Human | 257 | 0.27 | Binding ≤ 10μM |
| DHI2_RAT | P50233 | 11-beta-hydroxysteroid Dehydrogenase 2, Rat | 360 | 0.27 | Binding ≤ 10μM |
| KPCL_HUMAN | P24723 | Protein Kinase C Eta, Human | 250 | 0.27 | Binding ≤ 10μM |
| PTN11_HUMAN | Q06124 | Protein-tyrosine Phosphatase 2C, Human | 9600 | 0.21 | Binding ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 1300 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| CTLA4 inhibitory signaling | |
| Downstream signal transduction | |
| Effects of PIP2 hydrolysis | |
| FRS2-mediated cascade | |
| G alpha (z) signalling events | |
| GAB1 signalosome | |
| Glucocorticoid biosynthesis | |
| Interferon alpha/beta signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Negative regulation of FGFR signaling | |
| Netrin mediated repulsion signals | |
| PD-1 signaling | |
| PECAM1 interactions | |
| PI-3K cascade | |
| PI3K Cascade | |
| PIP3 activates AKT signaling | |
| Platelet sensitization by LDL | |
| Prolactin receptor signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| Signal regulatory protein (SIRP) family interactions | |
| Signaling by Leptin | |
| Signaling by SCF-KIT | |
| Spry regulation of FGF signaling | |
| Tie2 Signaling |
No pre-computed analogs available. Try a structural similarity search.