BETAMETHASONE PHOSPHORIC ACID

Search structure
Synonyms:
Status: Approved (1965)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YJO1F9W10R

Structure
InChI Key VQODGRNSFPNSQE-DVTGEIKXSA-N
Smile 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
InChI
InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30FO8P
Molecular Weight 472.45
AlogP 2.01
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 141.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - 2200 - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 11924 - 1363 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 10060 - 1169 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 8.216 - 3.734 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pregnancy 2 D011247 ClinicalTrials
Fasciitis, Plantar 1 D036981 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 68603
ChEMBL CHEMBL1201207
DrugBank DB14669
DrugCentral 4667
EPA CompTox DTXSID2047224
FDA SRS YJO1F9W10R
PubChem 107782
SureChEMBL SCHEMBL7424
ZINC ZINC000004097469
CONTENTS