Compound Detail
CHEMBL1201207
BETAMETHASONE PHOSPHORIC ACID 💊 Approved Drug
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💊 Approved Drug
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL1201207 |
| Name | BETAMETHASONE PHOSPHORIC ACID |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VQODGRNSFPNSQE-DVTGEIKXSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL632 |
7
Targets
13
Activities
3
Assay Types
0
PK Parameters
2
Publications
2
Known Names
2
Indications
Molecular Properties
472.4
MW (Da)
2.01
ALogP
6
HBA
4
HBD
141.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1965 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Pregnancy Fasciitis, Plantar
Activity Summary
IC50 6 meas. best 8.09
Ki 6 meas. best 8.43
Kd 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucocorticoid receptor CHEMBL2034 | Ki | 8.43 | 8.43 | 3.7 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.93 | 5.93 | 1169.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.87 | 5.87 | 1363.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.78 | 5.78 | 1663.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.78 | 5.78 | 1676.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 CHEMBL2288 | Kd | 5.66 | 5.66 | 2200.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.25 | 5.25 | 5648.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 5.19 | 5.19 | 6429.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.16 | 5.16 | 6959.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 5.11 | 5.11 | 7861.0 | 1 |
| Histamine H1 receptor CHEMBL231 | IC50 | 5.0 | 5.0 | 10060.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 4.92 | 4.92 | 11924.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21247763 | 10.1016/j.bmcl.2010.12.071 | Rattus norvegicus | 1 |
| 27409354 | 10.1021/acs.jmedchem.6b00411 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 1 |
Data from ChEMBL 36 via Core Engine