| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2005 | 31 | No |
Popular Name: Budesonide Budesonide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 51333-22-3 , 51372-29-3 , [51333-22-3] , [51372-29-3]
(11beta,16alpha)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione
16a(R),17-(Butylidenebis(oxy))-11b,21-dihydroxypregna-1,4-diene-3,20-dione
51333-22-3; Budesonide (JAN/USAN/INN); D00246; Entocort EC (TN); Pulmicort (TN); Uceris (TN)
51333-22-3; BUDESONIDE; CPD000058337; SAM002699898
51333-22-3; Budesonide; Prestwick_840
Budesonide; CPD000058337; SAM002699898
BUDESONIDE; FORMOTEROL FUMARATE DIHYDRATE; LS-187871; SYMBICORT
Rhinocort, Pulmicort , Entocort, Symbicort, Noex. Entocort EC
| 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) | 3.19 | 6.66 | -13.25 | 2 | 6 | 0 | 93 | 430.541 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.57e-02 g/l | DrugBank-approved |
| Indications | anti-inflammatory, antiasthma, hayfever, Crohns disease | KeyOrganics Bioactives |
| Indications | antiinflammatory, antiasthma, hayfever, Crohns disease | KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID | EP0042827A2; EP0069715A1; EP0143764A1; EP0158441A2; EP0158441B1; EP0164636A2; EP0170642A2; EP0170642B1; EP0190969A2; EP0190969B1; EP0197018A1; EP0197018B1; EP0200692A1; EP0200692B1; EP0207134A1; EP0207134B1; EP0208617A1; EP0239798A1; EP0258356B1; EP026024 | IBM Patent Data |
| Patent Database Links | EP1229034; EP1438962; EP1493439; EP1520590; EP1523975; EP1527772; EP1574222; EP1607087; EP1607103; EP1616569; EP1666028; EP1674079; EP1674085; EP1683514; EP1693053; EP1712220; EP1731140; EP1731142; EP1767223; EP1772142; EP1776982; EP1782839; EP1787639; EP | ChEBI |
| Target | Glucocorticoid Receptor | Selleck Chemicals |
| mechanism | Glucocorticoid steroid | ZereneX Building Blocks |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3015; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3015; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| biological_use | Used for the management of asthma and for treatment of inflammatory bowel disease | ZereneX Building Blocks |
| biological_use | Used for the management of asthma, non-infectious rhinitis and for treatment of inflammatory bowel disease | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR-2-E | Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.38 | Binding ≤ 10μM |
| GCR-2-E | Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 12 | 0.36 | Functional ≤ 10μM |
| Z100081-2-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other | Other | 1 | 0.41 | Functional ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 3162 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GCR_RAT | P06536 | Glucocorticoid Receptor, Rat | 2.9 | 0.39 | Binding ≤ 1μM |
| GCR_RAT | P06536 | Glucocorticoid Receptor, Rat | 2.9 | 0.39 | Binding ≤ 10μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 12.4 | 0.36 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 0.96 | 0.41 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression |
